SCHEMBL3667938

SCHEMBL3667938

CCOC(=O)C(F)(F)CNc1c(N)cccc1NC(=S)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALOX12 P18054 3/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
XBP1 P17861 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL3747888 0.82 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL3668474 0.81 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL3671692 0.78 ALDH1A1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3668570 0.74 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL3745934 0.74 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL3669641 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL31024226 0.67 GPR35 (0.44) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL6333143 0.65 MAPT (0.63) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3672237 0.65 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL31388374 0.65 ALDH1A1 (0.82) ALDH1A1MAPTLMNASMN1; SMN2ALOX12

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 2741/4885MAPT 4205/4885LMNA 3682/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885MAPT 4194/4885LMNA 4180/4885

“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.