SCHEMBL7976228

SCHEMBL7976228

N=C(N)Nc1ccc(C(=O)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GAA P10253 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GFER P55789 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP26A1 O43174 1/20 0.43
▸ RARB P10826 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
SCHEMBL10252063 0.83 MAPT (0.53) KLK1KLK5HDAC1HDAC6GAA
SCHEMBL10999743 0.80 NPC1 (0.51) KLK1KLK5GAAMEN1KMT2A
SCHEMBL2348513 0.79 KDM5A (0.57) HDAC1GAAMEN1KMT2AKDM4E
SCHEMBL8367216 0.79 HDAC1 (0.71) HDAC1HDAC6GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7345254 0.79 NPC1 (0.50) KLK1KLK5GAAMEN1KMT2A
SCHEMBL141675 0.79 NEU3 (0.60) HDAC1HDAC6GAAMEN1KMT2A
SCHEMBL29707260 0.78 CASR (0.56) HDAC1HDAC6GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL8887014 0.78 KDM5A (0.56) HDAC1GAAMEN1KMT2AKDM4E
SCHEMBL9316696 0.77 HTT (0.51) NPC1ALDH1A1HTTRAB9ALMNA
SCHEMBL8114921 0.77 RAB9A (0.50) HDAC1HDAC6GAAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 — — WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 KLK1 3035/4885KLK5 2450/4885HDAC1 1/4885

“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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