SCHEMBL20810074

SCHEMBL20810074

O=C(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 4/20 0.53
ALDH1A1 P00352 3/20 0.53
JAK2 O60674 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
GABRA5 P31644 2/20 0.47
CYP1A2 P05177 3/20 0.45
MAPT P10636 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 1/20 0.45
CTSA P10619 1/20 0.45
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45

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
SCHEMBL20810008 0.93 GABRA5 (0.52) LMNASMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL20810072 0.91 GABRA5 (0.49) LMNASMN1; SMN2ALDH1A1RAB9AGABRA5
SCHEMBL20810284 0.91 GABRA5 (0.51) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL20810011 0.90 SMN1; SMN2 (0.59) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL20810203 0.89 OPRM1 (0.51) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL20810202 0.88 GRN (0.49) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL20810009 0.88 MAPK14 (0.50) LMNAL3MBTL1RAB9AGABRA5GAA
SCHEMBL20810181 0.88 EPHX2 (0.46) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20810038 0.87 FFAR1 (0.50) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL20810186 0.87 CTSA (0.49) POLBLMNASMN1; SMN2HTTALDH1A1

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 POLB 2512/4885LMNA 1586/4885SMN1; 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.