SCHEMBL1799720

SCHEMBL1799720

O=C(O)c1c(-c2ccccc2)csc1NC(=O)C1CCC(C(=O)Nc2scc(-c3ccccc3)c2C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.61
▸ MEN1 O00255 10/20 0.61
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ SLC12A2 P55011 1/20 0.57
▸ SLC12A5 Q9H2X9 1/20 0.57
▸ NLRP3 Q96P20 1/20 0.57
▸ PKM P14618 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ GRIN2C Q14957 1/20 0.55
▸ ANO1 Q5XXA6 2/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53

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
SCHEMBL7963923 0.87 MEN1 (0.48) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1894620 0.84 MEN1 (0.46) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1907629 0.82 ABL1 (0.56) KMT2AMEN1MAPTANO1CASP3
SCHEMBL1954473 0.80 MEN1 (0.55) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1954030 0.80 ANO1 (0.63) KMT2AMEN1ANO1
SCHEMBL15258591 0.80 CASP3 (0.56) KMT2AMEN1RAB9ANPC1NLRP3
SCHEMBL6311471 0.80 KMT2A (0.64) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL12271566 0.79 CASP3 (0.56) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL1954232 0.79 CASP3 (0.52) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1953124 0.79 ANO1 (0.57) KMT2AMEN1ANO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 — — US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 — — 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 KMT2A 3782/4885MEN1 582/4885RAB9A 2391/4885

“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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