SCHEMBL7334381

SCHEMBL7334381

NCN1CCc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
USP2 O75604 1/20 0.70
CDK4 P11802 1/20 0.70
ALOX15 P16050 1/20 0.70
CCND1 P24385 1/20 0.70
MAPT P10636 4/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
PTK2B Q14289 1/20 0.56
ESR2 Q92731 1/20 0.56
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
HTR2A P28223 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL3115249 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5905934 0.84 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL30157536 0.84 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL12377760 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.83 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL32678251 0.82 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL32678255 0.82 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL16447616 0.82 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6216648 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL155757 0.79 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
WO-2018108627-A1 USE OF SUBSTITUTED INDOLINYLMETHYL SULFONAMIDES, OR THE SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO disclosed
WO-2011000566-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF NEGATIVE-SENSE SSRNA VIRUS INFECTIONS SAVIRA PHARMACEUTICALS GMBH (AT) 2011-01-06 WO disclosed
CN-101029017-A Production indapamide HUAHAI PHARMACEUTICAL CO LTD Z (CN) 2007-09-05 CN disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
US-4006239-A Benzoic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (2 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-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885MEN1 4405/4885KMT2A 3837/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885MEN1 4405/4885KMT2A 3837/4885

“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.