SCHEMBL24335455

SCHEMBL24335455

O=C(Nc1cccc2ccccc12)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.60
TMPRSS4 Q9NRS4 3/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPY5R Q15761 1/20 0.53
P2RX1 P51575 3/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
P2RX4 Q99571 2/20 0.51
P2RX7 Q99572 2/20 0.51
SLC2A1 P11166 1/20 0.51
P2RX3 P56373 1/20 0.51
KCNMA1 Q12791 1/20 0.51
CHRNB2 P17787 1/20 0.50

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
SCHEMBL30033663 0.85 TMPRSS4 (0.51) RXFP1TMPRSS4NPY5RP2RX1MEN1
SCHEMBL21828974 0.85 NTRK1 (0.63) RXFP1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL8372104 0.83 MEN1 (0.71) KDM4EMEN1KMT2ATRPV1
SCHEMBL24335456 0.83 ALDH1A1 (0.60) RXFP1NPC1RAB9ANPY5RKDM4E
SCHEMBL17774884 0.80 NPC1 (0.63) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL330342 0.80 KDR (0.65) TMPRSS4NPC1RAB9ACYP1A2CYP3A4
SCHEMBL2743115 0.79 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29575361 0.79 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL31722789 0.79 NPC1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL26564733 0.79 TMPRSS4 (0.45) RXFP1TMPRSS4P2RX1MEN1KMT2A

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-20230331663-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS THE CLEVELAND CLINIC FOUNDATION 2023-10-19 US disclosed
US-20230331663-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS THE CLEVELAND CLINIC FOUNDATION 2023-10-19 US disclosed
US-20230331663-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS THE CLEVELAND CLINIC FOUNDATION 2023-10-19 US disclosed
WO-2022082114-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS THE CLEVELAND CLINIC FOUNDATION (US) 2022-04-21 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-20230331663-A1 SMALL MOLECULE NICOTINAMIDE ADENINE DINUCLEOTIDE MODULATORS NQO1, NADK, CD38 RXFP1 3422/4885TMPRSS4 2176/4885NPC1 556/4885

“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.