SCHEMBL9915261

SCHEMBL9915261

CN1CCN(CCN(Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)C(=O)NCCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.37
INSR P06213 2/20 0.37
IDO1 P14902 1/20 0.37
FAAH O00519 5/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CSF1R P07333 1/20 0.34
FLT3 P36888 1/20 0.34
ABL1 P00519 1/20 0.34
NPM1 P06748 1/20 0.34
BCR P11274 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1497445 0.91 KDM4E (0.40) IDO1NPC1RAB9ATP53ALDH1A1
SCHEMBL1496949 0.90 TP53 (0.42) ALKINSRNPC1RAB9ATDP1
SCHEMBL8001966 0.90 ACHE (0.36) CSF1RFLT3ABL1ALDH1A1
SCHEMBL7997914 0.89 FAAH (0.38) IDO1FAAHNPC1RAB9ATDP1
SCHEMBL9915276 0.89 IDO1 (0.40) ALKINSRIDO1FAAHNPC1
SCHEMBL1496919 0.89 SIGMAR1 (0.41) CSF1RFLT3ABL1ALDH1A1
SCHEMBL1497008 0.86 ALDH1A1 (0.39) ALKINSRNPC1RAB9ATDP1
SCHEMBL3234400 0.85 HSD17B10 (0.44) NPC1RAB9ATAAR1TP53ALDH1A1
SCHEMBL1496941 0.85 SIGMAR1 (0.43)
SCHEMBL1496917 0.84 SIGMAR1 (0.40)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 ALK 61/4885INSR 869/4885IDO1 878/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALK 1334/4885INSR 1011/4885IDO1 283/4885

“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.