SCHEMBL25864745

SCHEMBL25864745

COc1ccc(-c2nnc(-c3ccccc3OC)o2)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
GUSB P08236 9/20 0.51
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.49
DHODH Q02127 2/20 0.49
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL12171732 0.84 NPC1 (0.66) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11615095 0.84 ALDH1A1 (0.58) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12171886 0.84 PPARD (0.56) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL23084666 0.81 GUSB (0.47) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6450847 0.80 RAB9A (0.64) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12171992 0.80 NPC1 (0.53) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL20587546 0.79 GUSB (0.55) NPC1RAB9AALDH1A1GUSB
SCHEMBL31513296 0.79 GUSB (0.55) NPC1RAB9AALDH1A1GUSB
SCHEMBL29771147 0.79 GUSB (0.55) NPC1RAB9AALDH1A1GUSB
SCHEMBL11611975 0.77 KDM4E (0.68) NPC1RAB9AALDH1A1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885ALDH1A1 2583/4885

“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.