SCHEMBL4137031

SCHEMBL4137031

CC(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.42
S1PR4 O95977 9/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALPL P05186 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTRN P46939 1/20 0.39
MAPK1 P28482 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAP4K4 O95819 1/20 0.39
ROS1 P08922 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39
GSK3B P49841 1/20 0.39
ITK Q08881 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL14075027 0.86 GSK3B (0.44) S1PR5S1PR4GSK3BCDK2
SCHEMBL5030016 0.84 TSHR (0.40) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL6427096 0.84 MAPT (0.47) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL6426335 0.84 KMT2A (0.46) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4144980 0.84 HPGD (0.47) NPC1RAB9AKDM4EMAPTMAPK1
SCHEMBL4149014 0.84 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL6427872 0.81 SMN1; SMN2 (0.42) S1PR5S1PR4SMN1; SMN2GSK3B
SCHEMBL4149111 0.79 MAPK8 (0.40) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4136943 0.76 CA12 (0.49) ALPLKDM4EMAPK1MAPK8GSK3B
SCHEMBL6426048 0.75 HPGD (0.53) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B S1PR5 2578/4885S1PR4 2951/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B S1PR5 2789/4885S1PR4 3012/4885NPC1 3703/4885

“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.