SCHEMBL2400812

SCHEMBL2400812

Cc1nccn1CCCC#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.45
P2RX7 Q99572 1/20 0.45
CSNK2A1 P68400 3/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL2380692 0.93 ALDH1A1 (0.59) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL153672 0.89 ALDH1A1 (0.56) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL25009512 0.82 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL27090339 0.82 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL32685227 0.81 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL8540879 0.81 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL25010694 0.81 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL626670 0.80 KMT2A (0.47) ALDH1A1KMT2APOLBCA12CA1
Water SCHEMBL15571108 0.79 ALDH1A1 (0.96) ALDH1A1KMT2APOLBCA12CA1
Thiocyanic Acid SCHEMBL30233485 0.79 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113637288-A Resin composition 味之素株式会社 2021-11-12 CN disclosed
US-20140030182-A1 CARBON FILMS PRODUCED FROM IONIC LIQUID CARBON PRECURSORS UT-BATTELLE, LLC (US) 2014-01-30 US disclosed
US-8574534-B2 Carbon films produced from ionic liquid carbon precursors UT-BATTELLE, LLC (US) 2013-11-05 US disclosed
US-20110229401-A1 Carbon Films Produced from Ionic Liquid Carbon Precursors UT-BATTELLE, LLC (US) 2011-09-22 US disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 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 (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-20110229401-A1 Carbon Films Produced from Ionic Liquid Carbon Precursors SCO2, CFB, YBX1 ALDH1A1 4535/4885KMT2A 2934/4885POLB 1800/4885

“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.