SCHEMBL13525831

SCHEMBL13525831

FCc1cc(-c2nc(-c3cccnc3)no2)ccc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.68
▸ MAPT P10636 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ TP53 P04637 5/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ TSHR P16473 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ CHRNB2 P17787 3/20 0.60
▸ CHRNA5 P30532 3/20 0.60
▸ CHRNA4 P43681 3/20 0.60
▸ HTT P42858 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54

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
SCHEMBL13525847 0.88 S1PR1 (0.67) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13525830 0.85 S1PR1 (0.70) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13525849 0.84 S1PR1 (0.70) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13417068 0.81 S1PR1 (1.00) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13525827 0.81 S1PR1 (0.70) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2463534 0.79 SMN1; SMN2 (0.93) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3796996 0.76 SMN1; SMN2 (1.00) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1422890 0.76 CHRNB2 (1.00) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1423102 0.76 CHRNB2 (1.00) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1422507 0.74 TP53 (0.74) S1PR1MAPTNPC1RAB9ASMN1; 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-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — 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-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 S1PR1 1/4885MAPT 4685/4885NPC1 1399/4885

“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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