SCHEMBL315547

SCHEMBL315547

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCC(c2cccc(F)c2)(N(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.58
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 1/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
Hydrochloric Acid SCHEMBL314995 0.99 GHSR (0.57) GHSRKMT2APOLBMEN1SMN1; SMN2
SCHEMBL315788 0.97 POLB (0.55) GHSRKMT2APOLBMEN1SMN1; SMN2
SCHEMBL315615 0.92 KMT2A (0.62) GHSRKMT2AALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL315938 0.92 KMT2A (0.61) GHSRKMT2AALDH1A1MAPTTDP1
SCHEMBL315915 0.90 GHSR (0.63) GHSRKMT2AALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL317007 0.89 GHSR (0.62) GHSRKMT2AALDH1A1MAPTKDM4E
SCHEMBL315827 0.89 GHSR (0.57) GHSRKMT2APOLBMEN1SMN1; SMN2
SCHEMBL316297 0.89 TSHR (0.50) GHSRKMT2APOLBMEN1ALDH1A1
Hydrochloric Acid SCHEMBL316635 0.88 TSHR (0.49) GHSRKMT2APOLBMEN1ALDH1A1
SCHEMBL316443 0.84 GHSR (0.58) GHSRKMT2APOLBMEN1SMN1; SMN2

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-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US claimed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 GHSR 3709/4885KMT2A 3031/4885POLB 1108/4885

“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.