SCHEMBL9146239

SCHEMBL9146239

COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.79
ALOX5 P09917 9/20 0.75
CYP3A4 P08684 3/20 0.75
CYP2C9 P11712 3/20 0.75
KDM4E B2RXH2 1/20 0.75
MEN1 O00255 1/20 0.75
PTGES O14684 1/20 0.75
USP2 O75604 1/20 0.75
TP53 P04637 1/20 0.75
CYP1A2 P05177 1/20 0.75
POLB P06746 1/20 0.75
MAPT P10636 1/20 0.75
HPGD P15428 1/20 0.75
ALOX15 P16050 1/20 0.75
MAPK1 P28482 1/20 0.75
PTGS2 P35354 1/20 0.75
MTOR P42345 1/20 0.75
RECQL P46063 1/20 0.75
RAB9A P51151 1/20 0.75
BLM P54132 1/20 0.75

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
SCHEMBL30181605 1.00 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL23270814 0.92 ALOX5AP (0.73) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL30181492 0.92 ALOX5AP (0.73) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL9044184 0.91 PTGES2 (0.78) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL169604 0.89 PTGES2 (0.67) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL30181651 0.89 PTGES2 (0.67) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL9178392 0.88 ALOX5AP (0.81) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL1193380 0.88 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL25968193 0.87 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL9044519 0.87 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2024-02-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
CN-113329996-B Compounds and methods for treating hedgehog pathway related disorders 博远医药(苏州)有限公司 2023-03-10 CN disclosed
CN-113329996-A Compounds and methods for treating hedgehog pathway related disorders 苏州麦迪耐斯医药科技有限公司 2021-08-31 CN disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
EP-3810573-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS Suzhou Mednes Pharma Tech Co., Ltd. (CN) 2021-04-28 EP disclosed
US-5420282-A Inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1995-05-30 US disclosed
US-5288743-A Lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5254541-A (Quinolin-2-ylmethoxy)indole/cyclodextrin complex MERCK FROSST CANADA, INC. (CA) 1993-10-19 US disclosed
US-5254567-A Antihistamines, antiinflammatory agent, antiallergens, cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1993-10-19 US disclosed
WO-1993010115-A1 AMORPHOUS (QUINOLIN-2-YLMETHOXY) INDOLES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-05-27 WO disclosed
EP-0542355-A1 Amorphous (Quinolin-2-ylmethoxy)indoles as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1993-05-19 EP disclosed
EP-0542356-A1 (Quinolin-2-ylmethoxy) indole/cyclodextrin complex as leukotrien inhibitor MERCK FROSST CANADA INC. (CA) 1993-05-19 EP disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 EP disclosed
EP-0419049-A1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1991-03-27 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 (3 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO ALOX5AP 3783/4885ALOX5 1983/4885CYP3A4 3134/4885
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO ALOX5AP 3709/4885ALOX5 1833/4885CYP3A4 2857/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO ALOX5AP 3783/4885ALOX5 1983/4885CYP3A4 3134/4885

“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.