SCHEMBL3668474

SCHEMBL3668474

Nc1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1NCC(F)(F)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 5/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.49
CYP1A2 P05177 2/20 0.49
XBP1 P17861 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL3667938 0.81 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL3745934 0.80 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL3669641 0.80 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL3747888 0.73 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL3668570 0.72 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL31388374 0.70 ALDH1A1 (0.82) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL3669226 0.69 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL16566488 0.66 ALDH1A1 (0.79) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL7710332 0.65 IDO1 (0.74) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL3672237 0.64 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ACYP1A2

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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 2741/4885MEN1 1059/4885MAPT 4205/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885MEN1 985/4885MAPT 4194/4885

“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.