SCHEMBL5653778

SCHEMBL5653778

CCCc1c(C)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
LMNA P02545 1/20 0.51
KCNH2 Q12809 1/20 0.51
CDK2 P24941 1/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
HTR2A P28223 1/20 0.48
HTR6 P50406 1/20 0.48
USP2 O75604 1/20 0.47
CTSV O60911 2/20 0.47
CTSL P07711 2/20 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
SCHEMBL9400712 0.91 KCNH2 (0.63) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9400646 0.88 MAPT (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6765948 0.87 HTR6 (0.59) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8589137 0.85 HTR6 (0.61) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8542497 0.83 MAPT (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL17505193 0.81 PARP1 (0.52) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27658173 0.81 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3571118 0.79 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL17505206 0.79 CTSV (0.52) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL17505160 0.79 PARP1 (0.52) MAPTMEN1KMT2AALDH1A1POLB

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
WO-2018073828-A1 DNA PRIMASE AND GYRASE INHIBITORS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2018-04-26 WO disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 WO disclosed
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885MEN1 2404/4885KMT2A 2825/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885MEN1 2404/4885KMT2A 2825/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 MAPT 4233/4885MEN1 2404/4885KMT2A 2825/4885

“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.