SCHEMBL20565860

SCHEMBL20565860

c1ccc(Nc2nc3ccccc3n2C2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
OGFRL1 Q5TC84 3/20 0.60
OPRM1 P35372 2/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
OPRL1 P41146 2/20 0.55
TP53 P04637 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
IDH1 O75874 8/20 0.54
HSD17B10 Q99714 1/20 0.51
MAPK9 P45984 2/20 0.50
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 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
SCHEMBL4917592 0.87 HDAC3 (0.56) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL4915316 0.86 HDAC3 (0.55) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL20685312 0.83 IDH1 (0.78) HDAC3HDAC1HDAC10HDAC6IDH1
SCHEMBL20685349 0.83 IDH1 (0.76) HDAC3HDAC1HDAC10HDAC6TP53
SCHEMBL18263886 0.83 HDAC6 (1.00) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL24832713 0.83 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL18263885 0.83 HDAC6 (1.00) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL26405543 0.82 HDAC3 (0.82) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL26405542 0.82 HDAC3 (0.82) HDAC3HDAC1HDAC10HDAC6OGFRL1
SCHEMBL2724896 0.81 HDAC6 (0.98) HDAC3HDAC1HDAC10HDAC6OGFRL1

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
CN-107108554-B 1-cyclohexyl-2-phenylaminobenzimidazole as MIDH1 inhibitor for treating tumors 德国癌症研究中心 2020-11-06 CN disclosed
CN-107108554-B 1-cyclohexyl-2-phenylaminobenzimidazole as MIDH1 inhibitor for treating tumors 德国癌症研究中心 2020-11-06 CN disclosed
US-10137110-B2 1-cyclohexyl-2-phenylaminobenzimidazoles as mIDH1 inhibitors for the treatment of tumors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-27 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-10137110-B2 1-cyclohexyl-2-phenylaminobenzimidazoles as mIDH1 inhibitors for the treatment of tumors HRH1, MDN1, MDH1 HDAC3 933/4885HDAC1 272/4885HDAC10 95/4885

“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.