SCHEMBL25004559

SCHEMBL25004559

CCOc1cc(Br)ncc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ AOC3 Q16853 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ S1PR1 P21453 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ S1PR3 Q99500 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALPL P05186 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL31274754 0.84 HPGD (0.39) HPGDSMN1; SMN2LMNAAOC3TSHR
SCHEMBL19346801 0.84 HPGD (0.39) HPGDSMN1; SMN2LMNAAOC3TSHR
SCHEMBL31638058 0.79 LOX (0.41) SMN1; SMN2LMNAAOC3TSHRSLC6A4
SCHEMBL18348256 0.79 NQO2 (0.37) S1PR1MAPTL3MBTL1DHFR
SCHEMBL22978591 0.78 SMN1; SMN2 (0.38) HPGDSMN1; SMN2LMNAAOC3TSHR
SCHEMBL28392792 0.78 ALDH1A1 (0.42) HPGDSMN1; SMN2LMNAAOC3TSHR
SCHEMBL26646826 0.78 HSD17B10 (0.48) HPGDSMN1; SMN2LMNAAOC3TSHR
SCHEMBL31638306 0.78 LOX (0.36) SMN1; SMN2LMNAAOC3TSHRTDP1
SCHEMBL13765676 0.78 GABRP (0.40) HPGDSMN1; SMN2AOC3TSHRHSD17B10
SCHEMBL19466204 0.76 ESR1 (0.38) HPGDAOC3TSHRHSD17B10TDP1

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E HPGD 835/4885SMN1; SMN2 3774/4885LMNA 3592/4885

“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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