SCHEMBL5594529

SCHEMBL5594529

CSc1ccc(NC(=N)c2ccc(C)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GBA1 P04062 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.40
P4HTM Q9NXG6 2/20 0.40
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.37
NOX1 Q9Y5S8 1/20 0.37
ALOX12 P18054 1/20 0.37
CSF1R P07333 1/20 0.37
FLT3 P36888 1/20 0.37
NFKB1 P19838 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
SCHEMBL4853449 0.78 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2GBA1
SCHEMBL8886468 0.77 PTGS2 (0.45) NPC1RAB9ASMN1; SMN2P4HTMCSF1R
SCHEMBL14193769 0.76 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2GBA1
SCHEMBL4853065 0.76 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2GBA1
SCHEMBL23977709 0.72 RAB9A (0.70) NPC1RAB9AMAPTSMN1; SMN2GBA1
SCHEMBL9909446 0.71 CCR1 (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23347882 0.69 P4HTM (0.67) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4860027 0.69 GAA (0.44) NPC1RAB9AMAPTSMN1; SMN2GBA1
SCHEMBL4862360 0.69 KDR (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL4857004 0.68 MAPT (0.49) NPC1RAB9AMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US disclosed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US disclosed
US-6613789-B2 Especially for treating arthritis, pain and fever G. D. SEARLE & CO. 2003-09-02 US disclosed
EP-0880504-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-04-02 EP disclosed
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 US disclosed
EP-0772600-B1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1193265-A2 A process for the preparation of 4-[2-(aryl or heterocyclo)-1H-imidazol-1-yl]benzenesulfonamides G.D. Searle & Co. (US) 2002-04-03 EP 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 (3 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-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation LTC4S, HRH4, LTB4R2 NPC1 3350/4885RAB9A 3744/4885MAPT 4718/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR NPC1 3285/4885RAB9A 2982/4885MAPT 4717/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 NPC1 3450/4885RAB9A 3556/4885MAPT 4677/4885

“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.