SCHEMBL9960150

SCHEMBL9960150

CC(C)c1cc([N+](=O)[O-])c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
CTSV O60911 4/20 0.47
CTSL P07711 4/20 0.47
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46
CYP19A1 P11511 3/20 0.44
ABCB1 P08183 1/20 0.44
GLRA1 P23415 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL7116860 0.85 POLB (0.56) POLBMEN1KMT2AMAPTCTSV
SCHEMBL11232948 0.82 ABCB1 (0.57) POLBMEN1KMT2AMAPTCTSV
SCHEMBL25146420 0.81 MAPK1 (0.53) MAPTGLRA1HTR1AADRA1DADRA1A
SCHEMBL1494020 0.80 POLB (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL18863826 0.79 POLB (0.54) POLBMEN1KMT2AMAPTCTSV
SCHEMBL29894219 0.79 POLB (0.54) POLBMEN1KMT2AMAPTCTSV
SCHEMBL13504298 0.79 CTSV (0.54) POLBMEN1KMT2AMAPTCTSV
SCHEMBL10585706 0.78 MEN1 (0.56) POLBMEN1KMT2AMAPTCTSV
SCHEMBL31756984 0.78 MEN1 (0.56) POLBMEN1KMT2AMAPTCTSV
SCHEMBL8316270 0.78 MEN1 (0.55) POLBMEN1KMT2AMAPTCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 US disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 US disclosed
US-9302998-B2 Aryl triazole compounds with antitumoural activity SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2016-04-05 US disclosed
EP-2655345-B1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA TAU RES SWITZERLAND SA (CH) 2015-02-18 EP disclosed
US-20140329812-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2014-11-06 US disclosed
EP-2655345-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU Research Switzerland S.A. (CH) 2013-10-30 EP disclosed
WO-2012084602-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2012-06-28 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 (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-20140329812-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 POLB 2891/4885MEN1 4705/4885KMT2A 4102/4885
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 POLB 2443/4885MEN1 4724/4885KMT2A 4247/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 POLB 2443/4885MEN1 4724/4885KMT2A 4247/4885

“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.