SCHEMBL29147406

SCHEMBL29147406

Nc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
THRB P10828 1/20 0.70
S1PR1 P21453 7/20 0.67
CASP3 P42574 3/20 0.59
S1PR3 Q99500 3/20 0.58
CHUK O15111 1/20 0.57
TXNRD1 Q16881 1/20 0.57
NOX4 Q9NPH5 1/20 0.57
KIF11 P52732 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ACHE P22303 2/20 0.53
BCHE P06276 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL3057686 0.92 LMNA (0.60) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL26093825 0.84 LMNA (0.70) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL26096204 0.84 NR1H4 (0.70) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL22925912 0.83 NOTUM (0.61) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL27001784 0.81 NPC1 (0.72) LMNAS1PR1S1PR3NPC1RAB9A
SCHEMBL16592595 0.81 ACHE (0.57) LMNATHRBNPC1RAB9ATP53
SCHEMBL13524985 0.80 S1PR1 (1.00) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL1259383 0.80 CASP3 (0.57) LMNATHRBS1PR1CASP3NPC1
SCHEMBL5208706 0.80 LMNA (0.65) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL4744783 0.80 LMNA (0.65) LMNATHRBS1PR1CASP3S1PR3

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 4 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
CN-116963761-A Small molecule antagonists against relaxin-3/RXFP 3 system 研究三角协会 2023-10-27 CN 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 LMNA 3806/4885THRB 152/4885S1PR1 457/4885

“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.