SCHEMBL17125366

SCHEMBL17125366

Cc1cccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
KMO O15229 2/20 0.40
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 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
SCHEMBL2712425 0.85 MDM2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1FABP3
SCHEMBL181818 0.84 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1FABP3
SCHEMBL17125364 0.82 MRGPRX4 (0.43) NPC1TSHRRAB9ASMN1; SMN2FABP3
SCHEMBL2708508 0.80 STIM1 (0.43) NPC1TSHRRAB9ASMN1; SMN2KMO
SCHEMBL2709576 0.79 MAP2K4 (0.45) KMOCD74MIFMARS1LDHA
SCHEMBL2708704 0.78 FABP3 (0.44) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2710663 0.78 STIM1 (0.47) ALDH1A1FABP3FABP4FABP5KMO
SCHEMBL17125360 0.77 MEN1 (0.43) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2712223 0.77 MARS1 (0.50) NPC1RAB9AMAP4K4RPA1L3MBTL1
SCHEMBL2710438 0.77 KMO (0.44) NPC1RAB9ASMN1; SMN2KMOAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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 (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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL NPC1 1560/4885TSHR 2427/4885RAB9A 3615/4885

“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.