SCHEMBL7078992

SCHEMBL7078992

Nc1ccc(NC(=O)c2ccco2)c(C(=O)OC(=O)c2cc(N)ccc2NC(=O)c2ccccc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL7078989 0.89 GFER (0.58) MEN1KMT2ATDP1GFERSMN1; SMN2
SCHEMBL7783264 0.84 ALDH1A1 (0.58) MEN1KMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL6815137 0.78 GFER (0.71) MEN1KMT2AGFERSMN1; SMN2MAPK1
SCHEMBL6815687 0.76 L3MBTL1 (0.53) MEN1KMT2ATDP1GFERSMN1; SMN2
SCHEMBL7666015 0.76 GFER (0.47) MEN1KMT2ATDP1GFERSMN1; SMN2
SCHEMBL6819589 0.74 NPC1 (0.61) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL6454172 0.73 SMN1; SMN2 (0.69) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL6816538 0.73 MAPT (0.54) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL7783257 0.73 ALDH1A1 (0.60) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL13219548 0.72 GFER (1.00) MEN1KMT2AGFERSMN1; SMN2MAPT

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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 MEN1 4810/4885KMT2A 2957/4885TDP1 452/4885

“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.