SCHEMBL11986175

SCHEMBL11986175

Cc1nc(C#N)cc(Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MBOAT4 Q96T53 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA2A P29274 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMO O15229 1/20 0.32
PGK1 P00558 1/20 0.32

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
SCHEMBL21938070 0.79 KDM5A (0.38) ALDH1A1KDM4EMBOAT4EGLN2CYP1A2
SCHEMBL11986180 0.78 KDM4E (0.35) ALDH1A1KDM4EEGLN2HTTMEN1
SCHEMBL29238871 0.77 KDM4E (0.43) ALDH1A1KDM4EEGLN2HTTMEN1
SCHEMBL11986178 0.75 LMNA (0.34) ALDH1A1KDM4EMBOAT4EGLN2HTT
SCHEMBL11942292 0.75 MEN1 (0.38) ALDH1A1KDM4EMBOAT4EGLN2HTT
SCHEMBL11986176 0.75 TTR (0.34) KDM4EEGLN2HTTADRA2AADORA2A
SCHEMBL11942293 0.75 HSD17B10 (0.38) ALDH1A1KDM4EMBOAT4EGLN2HTT
SCHEMBL11942290 0.75 EGLN2 (0.39) EGLN2HTTADRA2AADORA2AHSD17B10
SCHEMBL25297679 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EHTTMEN1TSHR
SCHEMBL25561201 0.74 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 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 (2 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-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885KDM4E 3124/4885MBOAT4 3610/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 ALDH1A1 719/4885KDM4E 2297/4885MBOAT4 2288/4885

“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.