SCHEMBL10146243

SCHEMBL10146243

N#CCNC(=O)c1ccc(-c2cccnc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
CYP2A6 P11509 6/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2E1 P05181 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2B6 P20813 2/20 0.48
POLB P06746 1/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSV O60911 1/20 0.47
CTSB P07858 1/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL3477617 0.88 ALDH1A1 (0.55) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL10146796 0.86 ALDH1A1 (0.58) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL3418241 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL17424209 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL17424207 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL368156 0.81 MKNK1 (0.56) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL17424214 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL3416889 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL3418232 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ELMNACYP2A6CYP2C19
SCHEMBL17424210 0.80 CTSL (0.46) ALDH1A1KDM4ELMNACYP2A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 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 (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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE ALDH1A1 2531/4885KDM4E 1038/4885LMNA 2980/4885

“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.