SCHEMBL13201448

SCHEMBL13201448

CCc1nc2cc(C(=O)O)ccc2s1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 9/20 0.54
TRPV1 Q8NER1 5/20 0.48
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2948700 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL6631884 0.88 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL31003371 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL4985555 0.86 HDAC6 (0.71) NPC1RAB9ASMN1; SMN2HDAC6TRPV1
SCHEMBL22371439 0.84 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13447882 0.84 HDAC6 (0.53) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL6781695 0.84 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15464454 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL29462432 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL9443177 0.82 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 NPC1 71/4885RAB9A 1920/4885SMN1; SMN2 4610/4885

“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.