SCHEMBL3081213

SCHEMBL3081213

C/N=C(\NC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TSHR P16473 4/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CES1 P23141 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL19490643 1.00 KMT2A (0.49) KMT2AGLACACNA1BAPBA1TSHR
SCHEMBL3081216 1.00 KMT2A (0.49) KMT2AGLACACNA1BAPBA1TSHR
Hydrochloric Acid SCHEMBL1878405 0.98 KMT2A (0.47) KMT2AGLACACNA1BAPBA1TSHR
Hydrochloric Acid SCHEMBL1878404 0.98 KMT2A (0.47) KMT2AGLACACNA1BAPBA1TSHR
SCHEMBL19801364 0.82 HDAC8 (0.47) TDP1MAPT
SCHEMBL16977092 0.81 GLA (0.41) KMT2AGLACACNA1BAPBA1TSHR
SCHEMBL3773521 0.81 GAA (0.44) KMT2AGLACACNA1BAPBA1TSHR
SCHEMBL13209207 0.81 GAA (0.44) KMT2AGLACACNA1BAPBA1TSHR
SCHEMBL12116657 0.81 GAA (0.44) KMT2AGLACACNA1BAPBA1TSHR
SCHEMBL25098930 0.80 KMT2A (0.41) KMT2AGLACACNA1BAPBA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433130-B1 POLYMERIZATION CATALYST; STABILITY SEKISUI CHEMICAL CO., LTD. (JP) 2002-08-13 US claimed
US-20230127629-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-04-27 US disclosed
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-14 US disclosed
WO-2021057264-A1 COMPOUND, PHOTOELECTRIC CONVERSION DEVICE, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-04-01 WO disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
WO-2020027463-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2020-02-06 WO disclosed
WO-2018038464-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-03-01 WO disclosed
WO-2018021406-A1 METAL COMPLEX AND ELECTRON-TRANSPORTING MATERIAL USING SAME 大電株式会社 2018-02-01 WO disclosed
WO-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed
EP-3239136-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Doosan Corporation (KR) 2017-11-01 EP disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-6433130-B1 POLYMERIZATION CATALYST; STABILITY SEKISUI CHEMICAL CO., LTD. (JP) 2002-08-13 US 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-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN KMT2A 4790/4885GLA 2816/4885CACNA1B 3034/4885
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof JAK2, IL4I1, INMT KMT2A 140/4885GLA 4849/4885CACNA1B 3500/4885
US-20230127629-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, EPCAM, TMEM109 KMT2A 2821/4885GLA 1901/4885CACNA1B 343/4885

“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.