SCHEMBL14640095

SCHEMBL14640095

NC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.55
▸ KMT2A Q03164 6/20 0.53
▸ TIMP3 P35625 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ RECQL P46063 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ ENPP2 Q13822 2/20 0.52
▸ HPSE Q9Y251 4/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ PKM P14618 3/20 0.47
▸ P2RX1 P51575 3/20 0.47
▸ P2RX3 P56373 3/20 0.47
▸ PRMT1 Q99873 2/20 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
SCHEMBL14640094 0.93 NT5E (0.61) NT5EKMT2ATIMP3MEN1RECQL
SCHEMBL14601341 0.91 TIMP3 (0.64) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11761517 0.91 TIMP3 (0.64) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL14107312 0.91 TIMP3 (0.64) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11761453 0.90 TIMP3 (0.63) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11757461 0.87 CASP6 (0.60) NT5EKMT2ATIMP3MEN1RECQL
SCHEMBL12215086 0.87 ENPP2 (0.55) NT5EKMT2ATIMP3MEN1RECQL
SCHEMBL17115738 0.86 ENPP2 (0.61) KMT2ATIMP3MEN1RECQLHSD17B10
SCHEMBL11760372 0.84 TIMP3 (0.64) NT5EKMT2ATIMP3MEN1RECQL
SCHEMBL14601340 0.84 TIMP3 (0.64) NT5EKMT2ATIMP3MEN1RECQL

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-20070003987-A1 Screening method for substance binding to merozoite surface protein-1/42 MEDICAL RESEARCH COUNCIL (GB) 2007-01-04 — — 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-20070003987-A1 Screening method for substance binding to merozoite surface protein-1/42 CD2BP2, MASP2, CD14 NT5E 2596/4885KMT2A 4666/4885TIMP3 1675/4885

“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.

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