SCHEMBL3673655

SCHEMBL3673655

COC(=O)c1ccc(Cl)c(NC(=S)Nc2c(C)cc(Cl)cc2Cl)c1NCCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 9/20 0.37
MEN1 O00255 9/20 0.37
KMT2A Q03164 9/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 3/20 0.35
XBP1 P17861 1/20 0.35
NR4A2 P43354 1/20 0.34
GAA P10253 1/20 0.34
PTGS2 P35354 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX12 P18054 1/20 0.33

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
SCHEMBL3664402 0.94 KMT2A (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3664895 0.86 LMNA (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3674113 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3669332 0.84 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4090979 0.82 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3669032 0.82 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3672205 0.82 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3668990 0.81 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3668562 0.81 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3671045 0.81 P2RX7 (0.36) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 4205/4885MEN1 1059/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885MAPT 4194/4885MEN1 985/4885

“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.