SCHEMBL4862359

SCHEMBL4862359

NC(=Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
SLC22A2 O15244 3/20 0.57
SLC22A1 O15245 2/20 0.57
SLC22A3 O75751 2/20 0.57
PLAU P00749 2/20 0.57
CYP2D6 P10635 1/20 0.56
HIF1A Q16665 1/20 0.56
NOS1 P29475 6/20 0.55
NOS3 P29474 4/20 0.55
PKM P14618 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL24136574 0.85 KMT2A (1.00) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL139363 0.85 KMT2A (1.00) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL24662980 0.85 KMT2A (1.00) MEN1KMT2ASLC22A2SLC22A1SLC22A3
Hydrochloric Acid SCHEMBL28549744 0.83 KMT2A (0.95) MEN1KMT2ASLC22A2SLC22A1SLC22A3
Hydrochloric Acid SCHEMBL9773794 0.83 KMT2A (0.95) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL6967013 0.82 MEN1 (0.76) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL4854784 0.81 SLC22A2 (0.53) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL8328537 0.80 MEN1 (0.73) MEN1KMT2ASLC22A2SLC22A1SLC22A3
Hydrochloric Acid SCHEMBL7560014 0.80 MEN1 (0.73) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL11789365 0.80 CYP2D6 (0.85) MEN1KMT2ASLC22A2SLC22A1SLC22A3

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-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP MEN1 917/4885KMT2A 4298/4885SLC22A2 1157/4885

“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.