SCHEMBL3465182

SCHEMBL3465182

NCCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 10/20 0.80
HSP90AA1 P07900 16/20 0.75
TRAP1 Q12931 4/20 0.75
ERBB2 P04626 3/20 0.75
HSP90B1 P14625 2/20 0.75
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64

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
SCHEMBL15970405 0.99 HSP90AB1 (0.78) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL15970576 0.99 HSP90AB1 (0.78) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL15970090 0.97 HSP90AB1 (0.81) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL17771162 0.94 HSP90AB1 (0.71) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL12989899 0.93 HSP90AB1 (0.78) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL13737416 0.92 HSP90AA1 (0.75) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL29409520 0.92 HSP90AA1 (0.75) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL19262140 0.91 HSP90AB1 (0.78) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL16177688 0.91 HSP90AB1 (0.70) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1
SCHEMBL1670124 0.91 HSP90AB1 (0.72) HSP90AB1HSP90AA1TRAP1ERBB2HSP90B1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616759-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2026-05-05 US disclosed
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 US disclosed
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2024-02-22 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-11607465-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2023-03-21 US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 US disclosed
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2021-05-13 US disclosed
EP-3709022-A1 USES OF LABELED HSP90 INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2020-09-16 EP disclosed
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2020-04-02 US disclosed
EP-3208615-B1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-10-09 EP disclosed
US-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-07-07 US disclosed
EP-3033338-A2 SELECTIVE GRP94 INHIBITORS AND USES THEREOF Memorial Sloan-Kettering Cancer Center (US) 2016-06-22 EP disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
WO-2015023976-A2 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-02-19 WO disclosed
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-02 US disclosed
US-20140242602-A1 USES OF LABELED HSP90 INHIBITORS CORNELL UNIVERSITY (US) 2014-08-28 US disclosed
US-20140088121-A1 HSP90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-03-27 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO 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 (12 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-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AB1 4/4885HSP90AA1 9/4885TRAP1 15/4885
US-20140088121-A1 HSP90 Inhibitors HSP90AB1, HSP90B1, HSP90AB2P HSP90AB1 1/4885HSP90AA1 4/4885TRAP1 116/4885
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885TRAP1 8/4885
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885TRAP1 19/4885
US-12616759-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AB2P HSP90AB1 1/4885HSP90AA1 4/4885TRAP1 10/4885
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885TRAP1 7/4885
US-11607465-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885TRAP1 8/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AB1 4/4885HSP90AA1 9/4885TRAP1 15/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90AB1 8/4885HSP90AA1 14/4885TRAP1 79/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AB1 4/4885HSP90AA1 9/4885TRAP1 15/4885
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885TRAP1 8/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AB1 4/4885HSP90AA1 9/4885TRAP1 15/4885

“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.