SCHEMBL16701541

SCHEMBL16701541

CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
HSD11B1 P28845 2/20 0.51
DYRK1A Q13627 5/20 0.49
GSK3B P49841 4/20 0.49
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
NPC1 O15118 1/20 0.48
AVPR2 P30518 1/20 0.48
GPR27 Q9NS67 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1F P30939 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KCNH2 Q12809 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
SCHEMBL16702020 0.91 RAB9A (0.50) RAB9AMEN1KMT2AATMHSD11B1
SCHEMBL10267315 0.85 TP53 (0.55) RAB9AMEN1KMT2AATMHSD11B1
SCHEMBL23969952 0.85 KCNH2 (0.51) RAB9AMEN1KMT2AATMNPC1
SCHEMBL16701405 0.85 RAB9A (0.62) RAB9AMEN1KMT2ADYRK1AGSK3B
Hydrochloric Acid SCHEMBL4496015 0.84 TP53 (0.54) RAB9AMEN1KMT2AATMHSD11B1
SCHEMBL16701449 0.84 DYRK1A (0.52) RAB9AMEN1KMT2ADYRK1AGSK3B
SCHEMBL4518103 0.84 RAB9A (0.53) RAB9AMEN1KMT2AATMHSD11B1
SCHEMBL16701711 0.83 KDR (0.53) RAB9AMEN1KMT2ADYRK1AGSK3B
SCHEMBL18084789 0.82 RAB9A (0.51) RAB9AMEN1KMT2ADYRK1AGSK3B
SCHEMBL16701630 0.82 UTS2R (0.55) RAB9AMEN1KMT2ADYRK1AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 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-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 2464/4885MEN1 2637/4885KMT2A 3029/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 2464/4885MEN1 2637/4885KMT2A 3029/4885

“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.