SCHEMBL7106629

SCHEMBL7106629

COc1c(N)cccc1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 4/20 0.48
CFTR P13569 1/20 0.48
BRD4 O60885 1/20 0.41
MMP2 P08253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RCE1 Q9Y256 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28710222 0.86 SMN1; SMN2 (0.46) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL1708883 0.85 MMP2 (0.55) ALDH1A1HSD17B10CFTRMMP2KDM4E
SCHEMBL29430315 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10CFTRBRD4MMP2
SCHEMBL31226473 0.85 MMP2 (0.55) ALDH1A1HSD17B10CFTRMMP2KDM4E
SCHEMBL9818242 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10CFTRBRD4MMP2
Hydrochloric Acid SCHEMBL29744423 0.83 MMP2 (0.53) ALDH1A1HSD17B10CFTRMMP2KDM4E
SCHEMBL30249128 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL177123 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRTSHRLMNA
SCHEMBL14431277 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRMMP2SMN1; SMN2
SCHEMBL27995741 0.83 MMP2 (0.53) ALDH1A1HSD17B10CFTRMMP2KDM4E

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
CN-113773262-B Pyridazines compounds 江苏先声药业有限公司 2024-08-09 CN disclosed
CN-109971211-B Pigment composition 山阳色素株式会社 2021-11-30 CN disclosed
CN-109971211-A Color compositions 山阳色素株式会社 2019-07-05 CN disclosed
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP 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 (1 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 ALDH1A1 1815/4885HSD17B10 139/4885CFTR 1206/4885

“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.