SCHEMBL1855847

SCHEMBL1855847

Brc1cccc(C2OC=CO2)c1I

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
SLC6A2 P23975 2/20 0.30
HTR2A P28223 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4130387 0.79
SCHEMBL5839553 0.76 ALDH1A1 (0.33) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL3464731 0.76
SCHEMBL5840850 0.73 HTR2C (0.36) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL5997071 0.72 NQO2 (0.33) HTR2B
SCHEMBL3968766 0.71 KDM1A (0.35) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL3465174 0.70
SCHEMBL1768568 0.69
SCHEMBL1768593 0.66 MAPK1 (0.42)
SCHEMBL936930 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167285-B2 Small-molecule HSP90 inhibitors MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-01-01 US disclosed
US-20170342073-A1 SMALL-MOLECULE HSP90 INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER 2017-11-30 US disclosed
US-9701678-B2 Small-molecule HSP90 inhibitors MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2017-07-11 US disclosed
US-20160333014-A1 SMALL-MOLECULE HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-11-17 US disclosed
US-20140227183-A1 SMALL-MOLECULE HSP90 INHIBITORS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2014-08-14 US disclosed
EP-2725357-A2 PROBE FOR IFRET AND USAGE OF SAME Korea Research Institute Of Bioscience And Biotechnology (KR) 2014-04-30 EP disclosed
US-8703942-B2 Small-molecule Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-04-22 US disclosed
US-20110104054-A1 Small-Molecule HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-05 US disclosed
US-7834181-B2 Small-molecule Hsp90 inhibitors SLAON-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-16 US disclosed
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-16 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 (6 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-20170342073-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB2P, HSP90AB1 HTR2C 1220/4885HTR2B 923/4885SLC6A2 1370/4885
US-20110104054-A1 Small-Molecule HSP90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HTR2C 1861/4885HTR2B 2005/4885SLC6A2 2043/4885
US-20160333014-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P HTR2C 2970/4885HTR2B 2812/4885SLC6A2 1994/4885
US-10167285-B2 Small-molecule HSP90 inhibitors HSP90B1, HSP90AB2P, HSP90AB1 HTR2C 1141/4885HTR2B 857/4885SLC6A2 1140/4885
US-20140227183-A1 SMALL-MOLECULE HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 HTR2C 2667/4885HTR2B 2729/4885SLC6A2 2573/4885
US-20080253965-A1 Small-Molecule Hsp90 Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HTR2C 2233/4885HTR2B 2543/4885SLC6A2 2172/4885

“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.