SCHEMBL13197673

SCHEMBL13197673

CC(=O)N(CCO)Cc1ccco1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TSHR P16473 1/20 0.64
MAPT P10636 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.52
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
ALOX5 P09917 1/20 0.49
GFER P55789 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
SCHEMBL21393181 0.90 MAPK1 (0.66) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL28226220 0.83 MAPK1 (0.59) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL38659672 0.83 MAPK1 (0.60) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL16316820 0.79 MAPK1 (0.59) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL4463285 0.78 ALOX5 (0.56) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL29833828 0.77 POLB (0.56) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL13934475 0.76 THRA (0.47) MAPK1NPSR1ALDH1A1TSHRPOLB
SCHEMBL11967793 0.76 RIPK1 (0.62) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL11067773 0.75 ALOX5 (0.49) MAPK1NPSR1ALDH1A1TSHRMAPT
SCHEMBL15803304 0.73 HDAC3 (0.44) NPSR1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20090042883-A1 ANTITUMOR AGENT KYOWA HAKKOKOGYO CO. (JP) 2009-02-12 US disclosed
US-20090042883-A1 ANTITUMOR AGENT KYOWA HAKKOKOGYO CO. (JP) 2009-02-12 US disclosed
EP-1852112-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-07 EP disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 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 (3 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P MAPK1 708/4885NPSR1 1364/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPK1 708/4885NPSR1 1364/4885ALDH1A1 2940/4885
US-20090042883-A1 ANTITUMOR AGENT MCL1, HDAC7, TP53 MAPK1 2801/4885NPSR1 383/4885ALDH1A1 780/4885

“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.