SCHEMBL1068321

SCHEMBL1068321

c1ccc(-c2cc[nH]c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
CYP2A6 P11509 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL3404744 0.98 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL27788608 0.98 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
Pyrrole SCHEMBL27662075 0.94 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
Trifluoroacetic Acid SCHEMBL31193481 0.84 TRPV1 (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15518410 0.80
SCHEMBL27773266 0.76 CYP2A6 (0.41) KDM4ECYP1A2CYP2A6NPC1RAB9A
SCHEMBL13390031 0.76 MEN1 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL607566 0.75 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28130037 0.75 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30158814 0.75 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119842063-A Dispersing agent containing phosphoric acid group and application thereof 上海三瑞高分子材料股份有限公司 2025-04-18 CN claimed
CN-119708475-A Hyperbranched dispersing agent and preparation method thereof 瑞固新能(上海)材料科技有限公司 2025-03-28 CN claimed
CN-119708468-A Dispersing agent for lithium battery anode slurry and preparation method thereof 瑞固新能(上海)材料科技有限公司 2025-03-28 CN claimed
CN-119708474-A Hyperbranched polymer and preparation method and application thereof 瑞固新能(上海)材料科技有限公司 2025-03-28 CN claimed
US-11583842-B2 Zwitterionic catalysts for (trans)esterification: application in fluoroindole-derivatives and biodiesel synthesis THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-02-21 US claimed
CN-110627691-B Method for preparing N-phenyl-bis (perfluoroalkyl sulfonyl) imine 中船(邯郸)派瑞特种气体股份有限公司 2022-03-25 CN claimed
US-20210023539-A1 ZWITTERIONIC CATALYSTS FOR (TRANS)ESTERIFICATION: APPLICATION IN FLUOROINDOLE-DERIVATIVES AND BIODIESEL SYNTHESIS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2021-01-28 US claimed
CN-104003917-A Preparing method of florfenicol sodium succinate microcrystals HEBEI RUNPU VETERINARY MEDICINE CO LTD 2014-08-27 CN claimed
CN-102702272-B Double-ferrocene ether and preparation method thereof UNIV SOOCHOW 2014-07-02 CN claimed
CN-103864691-A Method for preparing compound ABT-869 UNIV HENAN TCM 2014-06-18 CN claimed
CN-1482128-A 7-esterified and 7,20-double esterified camptothecine derivant and method for preparing the same and pharmaceutical combination and uses thereof 中国医学科学院药物研究所 2004-03-17 CN claimed
CN-1467210-A 20-esterifiable camptothecine derivative and method for making same and pharmaceutical combination and uses 中国医学科学院药物研究所 2004-01-14 CN claimed
CN-1463975-A Novel harringtonlne derivative, method for making same and its pharmaceutical composition and use thereof CHINESE ACAD MED SCIENCE (CN) 2003-12-31 CN claimed
CN-1447830-A Functionalized polyphenylene ether resin composition and process for producing the same GEN ELECTRIC (US) 2003-10-08 CN claimed
CN-1377884-A Process for preparing sedenafil SINO AMERICAN HUADONG PHARMACE (CN) 2002-11-06 CN claimed
CN-1048983-C Preparation of derivative of taxane RHONE POULENC RORER SA (FR) 2000-02-02 CN claimed
CN-1087905-A The method for preparing derivative of taxane RHONE POULENC RORER SA (FR) 1994-06-15 CN claimed
EP-0219196-B1 SURFACE TREATMENT OF SOFT CONTACT LENSES Sola U.S.A. Inc. (US) 1990-05-09 EP claimed
US-4687816-A USING ORGANIC ACID ANHYDRIDE SOLA U.S.A. INC. (US) 1987-08-18 US claimed
EP-0219196-A1 Surface treatment of soft contact lenses Sola U.S.A. Inc. (US) 1987-04-22 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-20210023539-A1 ZWITTERIONIC CATALYSTS FOR (TRANS)ESTERIFICATION: APPLICATION IN FLUOROINDOLE-DERIVATIVES AND BIODIESEL SYNTHESIS INMT, AADAT, BCHE KDM4E 1927/4885LMNA 3340/4885CCR1 4629/4885
US-11583842-B2 Zwitterionic catalysts for (trans)esterification: application in fluoroindole-derivatives and biodiesel synthesis INMT, AADAT, BCHE KDM4E 1927/4885LMNA 3340/4885CCR1 4629/4885

“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.