SCHEMBL3758360

SCHEMBL3758360

O=[N+]([O-])c1ccc(Cl)c(N=C2NCCCCN2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
VCAM1 P19320 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
AMY1A P0DUB6 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL3758835 0.97 HSD17B10 (0.51) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL11175973 0.94 HSD17B10 (0.50) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL8762465 0.78 ALDH1A1 (0.46) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL8763587 0.75 ALDH1A1 (0.46) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL18561729 0.72 HSD17B10 (0.60) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL8763532 0.71 ALDH1A1 (0.48) HSD17B10VCAM1KMT2AMEN1ALDH1A1
SCHEMBL13196957 0.70 HPGD (0.67) HSD17B10KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3672262 0.69 HSD17B10 (0.56) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL1940462 0.69 HSD17B10 (0.56) HSD17B10VCAM1KMT2AMEN1SMN1; SMN2
SCHEMBL10877390 0.69 MPI (0.34) VCAM1SMN1; SMN2ALDH1A1GAAMAPT

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 5 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
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 HSD17B10 1553/4885VCAM1 4875/4885KMT2A 1335/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 HSD17B10 1663/4885VCAM1 4876/4885KMT2A 2136/4885

“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.