SCHEMBL165944

SCHEMBL165944

Cc1cccc(CC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.51
SRD5A2 P31213 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GPR52 Q9Y2T5 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6359073 0.91 CTBP2 (0.54) CTBP2NPC1RAB9AL3MBTL1POLB
SCHEMBL2477387 0.89 NPC1 (0.57) CTBP2NPC1RAB9AL3MBTL1MAPT
SCHEMBL3289372 0.89 L3MBTL1 (0.58) NPC1RAB9AL3MBTL1MAPTPOLB
SCHEMBL25760942 0.88 CTBP2 (0.49) CTBP2NPC1RAB9AL3MBTL1POLB
SCHEMBL11633589 0.87 MAPT (0.60) NPC1RAB9AL3MBTL1MAPTSRD5A2
SCHEMBL13052381 0.86 ALDH1A1 (0.49) CTBP2NPC1RAB9AL3MBTL1MAPT
SCHEMBL7928075 0.85 KMT2A (0.53) NPC1RAB9AL3MBTL1MAPTPOLB
SCHEMBL22001631 0.85 CTBP2 (0.49) CTBP2NPC1RAB9AL3MBTL1MAPT
SCHEMBL7210143 0.85 PKM (0.49) CTBP2NPC1RAB9AL3MBTL1POLB
SCHEMBL3280980 0.83 KCNK3 (0.51) CTBP2NPC1RAB9AL3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233599-B Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2021-07-20 CN disclosed
EP-3342767-B1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2021-04-14 EP disclosed
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-17 US disclosed
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-10-06 US disclosed
CN-106547168-B Black matrix material composition and application 深圳市华星光电技术有限公司 2020-09-01 CN disclosed
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
CN-111233599-A Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2020-06-05 CN disclosed
US-20190270731-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-05 US disclosed
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-15 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed
US-4162316-A ANALGESICS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1979-07-24 US disclosed
US-4080453-A ANALGESICS, ANTITUSSIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1978-03-21 US disclosed
US-4009022-A Selective antagonists for triazine herbicides ROHM AND HAAS COMPANY (US) 1977-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R CTBP2 4348/4885NPC1 2403/4885RAB9A 4259/4885
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto PTGIR, PTGIS, PTGER1 CTBP2 4692/4885NPC1 1741/4885RAB9A 3446/4885
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 CTBP2 4692/4885NPC1 1741/4885RAB9A 3446/4885
US-20190270731-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 CTBP2 4692/4885NPC1 1741/4885RAB9A 3446/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 CTBP2 4522/4885NPC1 1542/4885RAB9A 3389/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R CTBP2 4348/4885NPC1 2403/4885RAB9A 4259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.