SCHEMBL14601340

SCHEMBL14601340

O=C(Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)c2)c1)Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 6/20 0.64
▸ RECQL P46063 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ HSD17B10 Q99714 4/20 0.64
▸ TDP1 Q9NUW8 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ USP2 O75604 2/20 0.64
▸ ENPP2 Q13822 2/20 0.62
▸ HPSE Q9Y251 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ PKM P14618 3/20 0.56
▸ P2RX1 P51575 3/20 0.56
▸ P2RX3 P56373 3/20 0.56
▸ PRMT1 Q99873 2/20 0.56
▸ SIRT1 Q96EB6 2/20 0.56
▸ ENPP3 O14638 1/20 0.56
▸ ENTPD3 O75355 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ PRKD3 O94806 1/20 0.56

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
SCHEMBL11760372 1.00 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11760343 0.99 TIMP3 (0.63) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11761517 0.93 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14107312 0.93 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14601341 0.93 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11761453 0.92 TIMP3 (0.63) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14640094 0.91 NT5E (0.61) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11582873 0.89 PRMT1 (0.63) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11582847 0.88 PRMT1 (0.62) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11495430 0.88 PRMT1 (0.62) TIMP3RECQLKMT2AHSD17B10TDP1

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 TIMP3 1675/4885RECQL 4113/4885KMT2A 4666/4885

“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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