SCHEMBL17349941

SCHEMBL17349941

NOCc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.59
MRGPRX4 Q96LA9 15/20 0.58
TP53 P04637 3/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PKM P14618 2/20 0.58
RAB9A P51151 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
MITF O75030 1/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
KMT2A Q03164 1/20 0.56
NR4A2 P43354 1/20 0.56

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
SCHEMBL30331845 1.00 FOLH1 (0.59) FOLH1MRGPRX4TP53NFKB1NFKB2
Hydrochloric Acid SCHEMBL27668461 0.98 FOLH1 (0.58) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL6000790 0.85 MRGPRX4 (0.68) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL7053494 0.84 MAOB (0.55) MRGPRX4
SCHEMBL13316468 0.83 FOLH1 (0.61) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL6761544 0.82 MRGPRX4 (0.57) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL27668384 0.82 FOLH1 (0.56) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL30628893 0.81 MRGPRX4 (0.67) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL565902 0.81 MRGPRX4 (0.67) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL28613106 0.81 FOLH1 (0.59) FOLH1MRGPRX4TP53NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 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 (2 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-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 FOLH1 2555/4885MRGPRX4 151/4885TP53 4846/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 FOLH1 2555/4885MRGPRX4 151/4885TP53 4846/4885

“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.