SCHEMBL15424138

SCHEMBL15424138

O=C(NO)c1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.75
▸ MEN1 O00255 2/20 0.73
▸ HTT P42858 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ TP53 P04637 2/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ MMP2 P08253 1/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ COMT P21964 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ MMP13 P45452 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ LMNA P02545 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
SCHEMBL15424140 0.94 MEN1 (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL5820403 0.89 MAPT (0.74) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424155 0.87 MEN1 (0.67) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679611 0.86 MEN1 (0.74) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424152 0.86 MAPT (0.65) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL20145790 0.86 MEN1 (0.62) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424141 0.86 MAPT (0.60) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642442 0.85 MEN1 (0.79) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679581 0.85 MEN1 (0.69) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642412 0.84 MEN1 (1.00) MAPTMEN1HTTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 — — US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — 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 (2 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-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MAPT 3245/4885MEN1 3364/4885HTT 1409/4885
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MAPT 3245/4885MEN1 3364/4885HTT 1409/4885

“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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