SCHEMBL25857007

SCHEMBL25857007

COc1ccccc1-c1nnc(-c2ccc3c(c2)CC(=O)C3)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ABCB1 P08183 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GUSB P08236 7/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ CTSG P08311 1/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ KLK14 Q9P0G3 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
SCHEMBL25864777 0.82 RAB9A (0.50) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL25856992 0.82 RAB9A (0.52) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL23523906 0.78 CYP11B1 (0.49) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL30355497 0.78 CYP11B1 (0.49) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL23558471 0.76 ALDH1A1 (0.50) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL6450847 0.75 RAB9A (0.64) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL25864745 0.75 NPC1 (0.57) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL30355588 0.74 CDC7 (0.53) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL23084679 0.74 CDC7 (0.53) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL20587635 0.74 ALDH1A1 (0.51) RAB9ANPC1MAPTKDM4ESMN1; 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 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 301/4885MAPT 3799/4885

“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.

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