SCHEMBL852946

SCHEMBL852946

c1ccc(C2=NN(c3ccccc3)CN2c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALB P02768 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.38
▸ MAOB P27338 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 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
Iodide SCHEMBL11899495 0.98 NPC1 (0.46) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL16307938 0.81 MAPT (0.41) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL27962242 0.77 ALB (0.45) MAPTKDM4EGLATDP1ALB
SCHEMBL15031208 0.74 MAPT (0.42) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL12220132 0.72 ALB (0.40) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL16307950 0.71 ALDH1A1 (0.41) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL266234 0.71 NPC1 (0.46) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL16792316 0.71 HSD17B10 (0.37) NPC1RAB9AMAPTKDM4EGLA
SCHEMBL5121302 0.69 CA1 (0.66) SIGMAR1CA1CA2CA4CA7
SCHEMBL14575860 0.69 NPC1 (0.41) NPC1RAB9AMAPTKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167377-B2 Phosphorus containing epoxy compounds and compositions therefrom FRX POLYMERS, INC. (US) 2019-01-01 — — US claimed
EP-2870146-A1 BIOREFINING COMPOUNDS AND ORGANOCATALYTIC UPGRADING METHODS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-05-13 — — EP claimed
US-20140205832-A1 PHOSPHORUS CONTAINING EPOXY COMPOUNDS AND COMPOSITIONS THEREFROM FRX POLYMERS, INC. (US) 2014-07-24 — — US claimed
US-20140007497-A1 BIOREFINING COMPOUNDS AND ORGANOCATALYTIC UPGRADING METHODS UNITED STATES DEPARTMENT OF ENERGY 2014-01-09 — — US claimed
WO-2014008301-A1 BIOREFINING COMPOUNDS AND ORGANOCATALYTIC UPGRADING METHODS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-01-09 — — WO claimed
US-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2010-05-27 — — US claimed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 — — US claimed
EP-1836184-A1 IMPROVED PROCESS FOR THE KUMADA COUPLING REACTION Honeywell International Inc. (US) 2007-09-26 — — EP claimed
EP-1836233-A1 HALOGENATED THIOPHENE MONOMER FOR THE PREPARATION OF REGIOREGULAR POLYTHIOPHENES Honeywell International Inc. (US) 2007-09-26 — — EP claimed
US-7262264-B2 Halogenated thiophene monomer for the preparation of regioregular polythiophenes HONEYWELL INTERNATIONAL INC. (US) 2007-08-28 — — US claimed
US-7205414-B2 Process for the Kumada coupling reaction HONEYWELL INTERNATIONAL INC. (US) 2007-04-17 — — US claimed
WO-2006076150-A1 IMPROVED PROCESS FOR THE KUMADA COUPLING REACTION HONEYWELL INTERNATIONAL INC. (US) 2006-07-20 — — WO claimed
WO-2006076156-A1 HALOGENATED THIOPHENE MONOMER FOR THE PREPARATION OF REGIOREGULAR POLYTHIOPHENES HONEYWELL INTERNATIONAL INC. (US) 2006-07-20 — — WO claimed
US-20060155105-A1 Halogenated thiophene monomer for the preparation of regioregular polythiophenes HONEYWELL INTERNATIONAL INC. 2006-07-13 — — US claimed
US-20060155134-A1 Process for the kumada coupling reaction HONEYWELL INTERNATIONAL INC. 2006-07-13 — — US claimed
WO-2025085698-A1 ABIOTIC CATALYTIC CONVERSION OF CARBON DIOXIDE TO SUGARS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-24 — — WO disclosed
CN-118160077-A In situ dredging in plasma etching 朗姆研究公司 2024-06-07 — — CN disclosed
EP-1275675-A1 COPOLYMER FORMED BY RING-OPENING POLYMERIZATION, PRODUCT OF HYDROGENATION OF COPOLYMER FORMED BY RING-OPENING POLYMERIZATION, AND PROCESSES FOR PRODUCING THESE Zeon Corporation (JP) 2003-01-15 — — EP disclosed
US-6486264-B1 Process for producing hydrogenated ring-opening polymerization polymer of cycloolefin ZEON CORPORATION (JP) 2002-11-26 — — US disclosed
EP-1197509-A1 PROCESS FOR PRODUCING HYDROGENATED RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN Nippon Zeon Co., Ltd. (JP) 2002-04-17 — — 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-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS FASN, LIPC, ACSL4 NPC1 680/4885RAB9A 3011/4885MAPT 4689/4885
US-20060155134-A1 Process for the kumada coupling reaction KMT5A, KMT5C, KCNT1 NPC1 3583/4885RAB9A 3466/4885MAPT 526/4885
US-20140007497-A1 BIOREFINING COMPOUNDS AND ORGANOCATALYTIC UPGRADING METHODS HPD, HMOX2, DUOX2 NPC1 3972/4885RAB9A 4157/4885MAPT 3054/4885

“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.

Send feedback