SCHEMBL20810056

SCHEMBL20810056

O=C(OCc1cc(-c2ccc(F)cc2)no1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GABRA5 P31644 5/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ BID P55957 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20810060 0.92 P2RY14 (0.46) MAPTALDH1A1
SCHEMBL20810198 0.91 MAPT (0.42) NPC1RAB9AGABRA5MAPTSMN1; SMN2
SCHEMBL20810062 0.91 SMN1; SMN2 (0.47) NPC1RAB9AGABRA5MAPTSMN1; SMN2
SCHEMBL20810199 0.91 MAPT (0.53) NPC1RAB9AGABRA5MAPTSMN1; SMN2
SCHEMBL20810197 0.90 MAPT (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20810200 0.89 PPARD (0.41) NPC1RAB9AGABRA5MAPTALDH1A1
SCHEMBL20810053 0.89 SMN1; SMN2 (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20810061 0.84 TDP1 (0.39) NPC1RAB9AGABRA5MAPTSMN1; SMN2
SCHEMBL20810196 0.82 MAPT (0.35) NPC1RAB9AGABRA5MAPTALDH1A1
SCHEMBL20809981 0.81 EPHX2 (0.49) GABRA5MAPTSMN1; SMN2ALDH1A1EPHX2

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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2019-03-14 — — 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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR3, NAPRT NPC1 416/4885RAB9A 1833/4885GABRA5 976/4885

“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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