SCHEMBL3669032

SCHEMBL3669032

COC(=O)c1ccc(Cl)c(NC(=S)Nc2c(Br)cc(OC)cc2Br)c1NCCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALOX12 P18054 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4090979 0.92 ALDH1A1 (0.35) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3674113 0.92 ALDH1A1 (0.37) ALDH1A1HTTTDP1MAPTMEN1
SCHEMBL3664402 0.85 KMT2A (0.38) ALDH1A1HTTTDP1MAPTMEN1
SCHEMBL3667824 0.84 ALDH1A1 (0.41) ALDH1A1HTTTDP1MAPTMEN1
SCHEMBL3664895 0.82 LMNA (0.44) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3668562 0.81 KMT2A (0.35) ALDH1A1HTTTDP1MAPTMEN1
SCHEMBL3671045 0.81 P2RX7 (0.36) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3669332 0.80 MAPT (0.41) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL3672205 0.80 ALDH1A1 (0.38) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3665559 0.79 ALDH1A1 (0.40) ALDH1A1HTTMAPTMEN1KMT2A

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 2741/4885HTT 1786/4885TDP1 3481/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885HTT 1520/4885TDP1 4618/4885

“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.