SCHEMBL20810064

SCHEMBL20810064

O=C(OCc1cc(-c2ccccc2Cl)no1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DGAT2 Q96PD7 2/20 0.37
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL20810066 0.89 NPC1 (0.40) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL20810061 0.89 TDP1 (0.39) MAPTNPC1SMN1; SMN2RAB9APOLB
SCHEMBL20810055 0.89 OXTR (0.40) MAPTALDH1A1
SCHEMBL20810059 0.87 SMN1; SMN2 (0.42) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL20810199 0.86 MAPT (0.53) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL20810062 0.84 SMN1; SMN2 (0.47) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL20809985 0.82 CYP1A2 (0.50) MAPTNPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL20810060 0.81 P2RY14 (0.46) MAPTALDH1A1TDP1
SCHEMBL20810056 0.81 NPC1 (0.46) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL20809994 0.81 ALDH1A1 (0.57) MAPTNPC1SMN1; SMN2RAB9ACYP1A2

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 MAPT 4604/4885NPC1 416/4885SMN1; SMN2 2249/4885

“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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