SCHEMBL10003531

SCHEMBL10003531

CN(C)C=C(C#N)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ HDAC3 O15379 3/20 0.45
▸ HDAC4 P56524 3/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC10 Q969S8 3/20 0.45
▸ HDAC11 Q96DB2 3/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ HDAC6 Q9UBN7 3/20 0.45
▸ HDAC9 Q9UKV0 3/20 0.45
▸ HDAC5 Q9UQL6 3/20 0.45
▸ NOD2 Q9HC29 4/20 0.45
▸ NOD1 Q9Y239 4/20 0.45
▸ CCR2 P41597 1/20 0.45
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20291498 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL10003527 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL16792452 0.93 ALOX5 (0.58) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL16792454 0.93 ALOX5 (0.58) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL16792457 0.93 ALOX5 (0.58) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL10002618 0.89 NOD2 (0.42) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL10002620 0.89 NOD2 (0.42) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL10003138 0.89 NOD2 (0.42) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL10003136 0.89 NOD2 (0.42) ALDH1A1LMNAMAPTALOX5HDAC3
SCHEMBL20291515 0.89 NOD2 (0.42) ALDH1A1LMNAMAPTALOX5HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339305-B1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARM CO LTD (CN) 2022-05-04 — — EP disclosed
CN-107406431-B Indole derivatives, preparation method and medical application thereof 上海昂睿医药技术有限公司 2020-06-26 — — CN disclosed
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2018-07-12 — — US disclosed
EP-3339305-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG Zhejiang Hisun Pharmaceutical Co., Ltd (CN) 2018-06-27 — — EP disclosed
CN-107406431-A Indole derivatives and preparation method thereof and its purposes in medicine 浙江海正药业股份有限公司 2017-11-28 — — CN disclosed
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 ALDH1A1 919/4885LMNA 4775/4885MAPT 4214/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALDH1A1 873/4885LMNA 4133/4885MAPT 4330/4885
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG FGFR1, FGFR2, FGFR4 ALDH1A1 752/4885LMNA 4714/4885MAPT 1115/4885

“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.

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