SCHEMBL31360174

SCHEMBL31360174

COC(=O)c1cc2[nH]cc(CC[N+](=O)[O-])c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
NQO2 P16083 2/20 0.45
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
NR4A2 P43354 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL31360015 0.86 CDK2 (0.45) NPC1MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL25155634 0.84 NPC1 (0.52) NPC1MTNR1AMTNR1BNR4A2LMNA
SCHEMBL2533137 0.82 GPR84 (0.61) NPC1MTNR1ANQO2ALDH1A1LMNA
SCHEMBL25155904 0.81 HPGD (0.50) NPC1MTNR1AMTNR1BNR4A2ALDH1A1
SCHEMBL25156523 0.81 NPC1 (0.49) NPC1MTNR1AMTNR1BNR4A2ALDH1A1
SCHEMBL25156236 0.76 NR4A2 (0.56) NPC1NR4A2MAPTGPR84
SCHEMBL2535514 0.75 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL2536090 0.75 MEN1 (0.55) NPC1NQO2ALDH1A1LMNAPOLB
SCHEMBL743219 0.75 NR4A2 (0.49) NPC1MTNR1AMTNR1BNQO2NR4A2
SCHEMBL31332158 0.75 NR4A2 (0.49) NPC1MTNR1AMTNR1BNQO2NR4A2

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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD NPC1 1002/4885MTNR1A 1601/4885MTNR1B 2765/4885

“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.