SCHEMBL29936918

SCHEMBL29936918

Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TAAR1 Q96RJ0 1/20 0.57
GRM5 P41594 1/20 0.55
ACHE P22303 2/20 0.54
BCHE P06276 1/20 0.54
NR1H4 Q96RI1 3/20 0.50
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA4 P22748 1/20 0.48
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
PSMD11 O00231 1/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 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
SCHEMBL13415321 0.82 TP53 (0.60) TP53NPC1RAB9ASMN1; SMN2ACHE
SCHEMBL16592595 0.82 ACHE (0.57) TP53NPC1RAB9ASMN1; SMN2ACHE
SCHEMBL29936903 0.82 RAB9A (0.74) TP53NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL26096204 0.81 NR1H4 (0.70) TP53NPC1RAB9ASMN1; SMN2ACHE
SCHEMBL16592554 0.80 NR1H4 (0.78) TP53NPC1RAB9ASMN1; SMN2ACHE
SCHEMBL11323465 0.80 NR1H4 (0.78) TP53NPC1RAB9ASMN1; SMN2ACHE
SCHEMBL15425072 0.79 TP53 (0.63) TP53NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL31660373 0.79 TP53 (0.63) TP53NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL60606 0.78 NPC1 (0.67) TP53NPC1RAB9ASMN1; SMN2ACHE
SCHEMBL31659979 0.76 NPC1 (0.73) TP53NPC1RAB9ASMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE 2024-06-27 US disclosed
EP-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 EP disclosed
WO-2022192126-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE (US) 2022-09-15 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-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RXFP3, RXFP1, RXFP4 TP53 4821/4885NPC1 4471/4885RAB9A 2005/4885

“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.