SCHEMBL18537950

SCHEMBL18537950

CN(C)/C=C(\C#N)C(=O)c1cc2ccc(C#N)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ CCR9 P51686 2/20 0.36

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
SCHEMBL10003531 0.89 ALDH1A1 (0.48) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL10003527 0.89 ALDH1A1 (0.48) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20291498 0.89 ALDH1A1 (0.48) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL28171535 0.88 NPSR1 (0.43) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL29500522 0.88 NOD2 (0.42) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL20291509 0.88 NOD2 (0.42) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL10002618 0.88 NOD2 (0.42) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL18537911 0.88 NPSR1 (0.43) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL10002620 0.88 NOD2 (0.42) HTR6RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL11927245 0.87 RAB9A (0.37) HTR6RAB9AL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017028816-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG 浙江海正药业股份有限公司 2017-02-23 — — WO 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-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG FGFR1, FGFR2, FGFR4 HTR6 30/4885RAB9A 2293/4885L3MBTL1 4456/4885

“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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