SCHEMBL25856994

SCHEMBL25856994

COc1ccccc1-c1nnc(-c2ccc3c(c2)C(=O)OC3C)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GUSB P08236 7/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA13 Q8N1Q1 2/20 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
SCHEMBL25856992 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL23558471 0.74 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25857007 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6450847 0.74 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25856672 0.74 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25864745 0.73 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL12171886 0.72 PPARD (0.56) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL30355588 0.72 CDC7 (0.53) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL20587635 0.72 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL23084679 0.72 CDC7 (0.53) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 2 patents. 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
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 RAB9A 3056/4885NPC1 301/4885SMN1; SMN2 1320/4885

“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.