SCHEMBL26801

SCHEMBL26801

O=[C]N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 3/20 0.48
CA2 P00918 1/20 0.45
AOC3 Q16853 1/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PYCR1 P32322 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CALM1 P0DP23 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL5542194 0.88 KCNA5 (0.50) ALDH1A1LMNARAB9APYCR1
SCHEMBL5548403 0.88 ALDH1A1 (0.48) ALDH1A1PYCR1
SCHEMBL5540773 0.88 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMAOBPYCR1
SCHEMBL16935665 0.87 ALDH1A1 (0.52) ALDH1A1TSHRCA2AOC3LMNA
SCHEMBL968494 0.87 ALDH1A1 (0.52) ALDH1A1TSHRAOC3LMNANPC1
SCHEMBL7326431 0.85 ALDH1A1 (0.50) ALDH1A1TSHRAOC3NPC1RAB9A
SCHEMBL5542832 0.84 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL15904253 0.83 ALDH1A1 (0.48) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL4668886 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCA2AOC3LMNA
SCHEMBL8857301 0.83 ALDH1A1 (0.48) ALDH1A1TSHRAOC3LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585611-A Triazinane derivative and process for producing the same 弗雷克斯系统美国公司 2022-06-03 CN claimed
EP-2867202-B1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2017-08-09 EP claimed
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP claimed
EP-2221306-B1 METHOD FOR PRODUCING 2-AZAADAMANTANE NISSAN CHEMICAL IND LTD (JP) 2016-04-13 EP claimed
US-9187442-B2 Method for producing stereoselective epoxyketone compound NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2015-11-17 US claimed
US-9114390-B2 9-azanoradamantane N—oxyl compound and method for producing same, and organic oxidation catalyst and method for oxidizing alcohols using 9-azanoradamantane N—oxyl compound TOHOKU UNIVERSITY (JP) 2015-08-25 US claimed
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-07 US claimed
EP-2867202-A2 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2015-05-06 EP claimed
US-20150031887-A1 9-AZANORADAMANTANE N-OXYL COMPOUND AND METHOD FOR PRODUCING SAME, AND ORGANIC OXIDATION CATALYST AND METHOD FOR OXIDIZING ALCOHOLS USING 9-AZANORADAMANTANE N-OXYL COMPOUND TOHOKU UNIVERSITY (JP) 2015-01-29 US claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 EP claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
EP-0115954-B1 BICYCLOOCTANE DERIVATIVES AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP claimed
EP-0115954-A2 Bicyclooctane derivatives and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP claimed

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-20150031887-A1 9-AZANORADAMANTANE N-OXYL COMPOUND AND METHOD FOR PRODUCING SAME, AND ORGANIC OXIDATION CATALYST AND METHOD FOR OXIDIZING ALCOHOLS USING 9-AZANORADAMANTANE N-OXYL COMPOUND TET2, FTO, NOX4 ALDH1A1 78/4885TSHR 1775/4885CA2 4796/4885
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND HSD17B7, CYP51A1, AKR1B10 ALDH1A1 331/4885TSHR 3180/4885CA2 4570/4885

“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.