SCHEMBL4434172

SCHEMBL4434172

NN=C(N=Nc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ HTT P42858 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL4434170 1.00 NPC1 (0.46) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL491429 0.73 RAB9A (0.73) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL322062 0.73 RAB9A (0.73) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL5233158 0.73 ALDH1A1 (0.52) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL4690691 0.73 ALDH1A1 (0.52) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL10905157 0.71 BLM (0.46) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL14643620 0.71 BLM (0.41) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL5803237 0.70 ALDH1A1 (0.59) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL28552607 0.70 ALDH1A1 (0.59) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL9343847 0.69 CES2 (0.37) NPC1RAB9AL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127719-A1 METHOD FOR DETECTION OF CD16B 52 North Health Ltd (GB) 2023-02-08 — — EP disclosed
WO-2021198693-A1 METHOD FOR DETECTION OF CD16B 52 NORTH HEALTH LTD (GB) 2021-10-07 — — WO disclosed
US-9901649-B2 Block copolymers for therapeutic drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-02-27 — — US disclosed
US-20170319704-A1 BLOCK COPOLYMERS FOR THERAPEUTIC DRUG DELIVERY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-09 — — US disclosed
US-9631050-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-25 — — US disclosed
WO-2016207343-A1 PEROXIDASE FUSION PROTEIN TECHNISCHE UNIVERSITÄT GRAZ (AT) 2016-12-29 — — WO disclosed
US-20160257782-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-09-08 — — US disclosed
US-8703197-B2 Branched polyamines for delivery of biologically active materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-04-22 — — US disclosed
US-20140080215-A1 BRANCHED POLYAMINES FOR DELIVERY OF BIOLOGICALLY ACTIVE MATERIALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-03-20 — — US disclosed
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 — — EP disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 — — WO disclosed
CN-1893967-A Peptide-drug conjugates for leukocyte internalization UNIV KANSAS (US) 2007-01-10 — — CN disclosed
EP-1257542-B1 METHOD FOR PRODUCING 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS BAYER CROPSCIENCE AG (DE) 2004-12-01 — — EP disclosed
US-6720428-B2 REACTING A HYDRAZINE DERIVATIVE WITH N-DIHALOGENOMETHYL-FORMAMIDINIUM HALIDE TO FORM 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-13 — — US disclosed
WO-2003062432-A1 METHOD FOR INCREASING THE EFFICIENCY OF AN INHIBITOR OF TYROSINE KINASE ACTIVITY RIBOPHARMA AG (DE) 2003-07-31 — — WO disclosed
US-20030018201-A1 Method for producing 2-(1,2,4-Triazol-1-yl)-ethanols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-01-23 — — US disclosed
US-4605706-A REACTING NITRILE-FUNCTIONAL POLYMER WITH A HYDROXYLAMINE AND AN AMINO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-08-12 — — US disclosed
US-4564659-A NITRILE POLYMER, HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-14 — — US disclosed
EP-0105201-A2 Chelate resins, process for their production and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-11 — — 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-20160257782-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES VDR, GC, CYP24A1 NPC1 102/4885RAB9A 3561/4885L3MBTL1 1684/4885
US-20170319704-A1 BLOCK COPOLYMERS FOR THERAPEUTIC DRUG DELIVERY GSS, GSR, GSTP1 NPC1 3282/4885RAB9A 3945/4885L3MBTL1 1709/4885
US-20030018201-A1 Method for producing 2-(1,2,4-Triazol-1-yl)-ethanols ADH1C, ADH1A, ADH5 NPC1 3493/4885RAB9A 2089/4885L3MBTL1 2574/4885

“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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