SCHEMBL15716355

SCHEMBL15716355

COCCOc1nc(C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.40
PIN1 Q13526 4/20 0.40
VCAM1 P19320 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.36
PGK1 P00558 1/20 0.35

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
SCHEMBL15716580 0.78 S1PR4 (0.51) S1PR4VCAM1MAPTLMNANPC1
SCHEMBL29361819 0.77 MERTK (0.58) S1PR4PIN1VCAM1TSHRMAPT
SCHEMBL18839589 0.77 PLAU (0.41) S1PR4PIN1VCAM1MAPTLMNA
SCHEMBL16931267 0.77 MERTK (0.58) S1PR4PIN1VCAM1TSHRMAPT
SCHEMBL19173076 0.75 SMN1; SMN2 (0.49) S1PR4TSHRMAPTLMNAHPGD
SCHEMBL15716302 0.75 NPC1 (0.46) S1PR4PIN1TSHRMAPTLMNA
SCHEMBL15716327 0.75 TSHR (0.44) S1PR4TSHRALDH1A1
SCHEMBL3168592 0.74 S1PR4 (0.51) S1PR4VCAM1MAPTLMNANPC1
SCHEMBL20278479 0.73 TSHR (0.42) VCAM1TSHRLMNAALDH1A1PGK1
SCHEMBL8986027 0.72 LMNA (0.44) MAPTLMNANPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO 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 (1 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-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TNNI3K S1PR4 2860/4885PIN1 3501/4885VCAM1 3106/4885

“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.