SCHEMBL20976397

SCHEMBL20976397

CCCc1nc(C(=O)O)sc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
DPP4 P27487 1/20 0.33
RARB P10826 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RX3 P56373 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL25665202 0.80 HCAR2 (0.34) HCAR2NPC1RAB9ADPP4PDE3B
SCHEMBL11833656 0.71 ALDH1A1 (0.42) HCAR2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL10123483 0.71 SLC6A3 (0.38) SMN1; SMN2GAAPDE3AALDH1A1
SCHEMBL9369067 0.70 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2GAADPP4
SCHEMBL28295707 0.70 GABRP (0.49) HCAR2DPP4GABRPGABRDGABRA1
SCHEMBL24202241 0.69
SCHEMBL15304319 0.68 ALDH1A1 (0.35) HCAR2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27870394 0.68 ALDH1A1 (0.44) HCAR2NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL560401 0.68 GPR35 (0.40) HCAR2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL25301498 0.68 HRH2 (0.39) HCAR2GAAGABRPGABRDGABRA1

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-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 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-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN HCAR2 4064/4885NPC1 3802/4885TP53 1146/4885

“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.