SCHEMBL3665786

SCHEMBL3665786

FC(F)(F)c1cc(Cl)ccc1N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
AR P10275 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HCAR1 Q9BXC0 1/20 0.31
POLQ O75417 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTP4A3 O75365 1/20 0.31
SLC6A4 P31645 2/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30562945 1.00 RAB9A (0.36) RAB9AARCYP1A2CYP2D6CYP2C19
SCHEMBL22469646 0.86 AR (0.36) RAB9AARCYP1A2CYP2D6CYP2C19
SCHEMBL162277 0.82 RAB9A (0.40) RAB9AARCYP1A2CYP2D6CYP2C19
SCHEMBL29648862 0.82 RAB9A (0.40) RAB9AARCYP1A2CYP2D6CYP2C19
SCHEMBL7061834 0.80 CES2 (0.42) ARCYP1A2HCAR1POLQSLC6A4
SCHEMBL28591458 0.80 IDO1 (0.39) ARCYP1A2HCAR1SLC6A4ABCB11
SCHEMBL4634616 0.79 RAB9A (0.41) RAB9AARCYP1A2CYP2D6CYP2C19
SCHEMBL4634618 0.79 RAB9A (0.41) RAB9AARCYP1A2CYP2D6CYP2C19
SCHEMBL5799704 0.79 KDM1A (0.39) CYP1A2HCAR1SLC6A4ABCB11ALDH1A1
SCHEMBL30673509 0.79 KDM1A (0.39) CYP1A2HCAR1SLC6A4ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
WO-2013014445-A1 DERIVATIVES OF PHENYL (THIO) UREA DEOXYTHYMIDINE AND USE THEREOF AS ANTIMALARIALS UNIVERSITY OF DUNDEE (GB) 2013-01-31 WO disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-4623655-A Fungicidal iminomethyl-azolyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-11-18 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 RAB9A 1668/4885AR 150/4885CYP1A2 320/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 RAB9A 4559/4885AR 23/4885CYP1A2 105/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 RAB9A 2170/4885AR 118/4885CYP1A2 816/4885

“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.