SCHEMBL11895064

SCHEMBL11895064

O=C(O)c1cc(-c2ccc(NCS(=O)(=O)c3ccccc3)cc2)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DHODH Q02127 4/20 0.36
▸ PTGES O14684 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL11894668 0.91 ALDH1A1 (0.44) KMT2AKDM4EPDE10AALDH1A1HSD17B10
SCHEMBL11895162 0.90 CYP19A1 (0.41) KMT2AKDM4EPDE10ACYP19A1ALDH1A1
SCHEMBL11894883 0.89 MAPT (0.45) KMT2AKDM4EPDE10ACYP19A1ALDH1A1
SCHEMBL11894570 0.86 CASP1 (0.46) KMT2AKDM4EPDE10AALDH1A1HSD17B10
SCHEMBL11894516 0.84 MAPT (0.44) KMT2AKDM4EPDE10ACYP19A1ALDH1A1
SCHEMBL11895208 0.83 ALDH1A1 (0.48) KMT2AKDM4EPDE10ACYP19A1ALDH1A1
SCHEMBL11894683 0.82 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1TP53HSD17B10
SCHEMBL11894873 0.81 P4HTM (0.40) KMT2AKDM4ECYP19A1ALDH1A1DHODH
SCHEMBL11895094 0.80 CYP19A1 (0.41) KMT2AKDM4EPDE10ACYP19A1ALDH1A1
SCHEMBL11895186 0.78 PHGDH (0.41) KMT2AKDM4EPDE10ACYP19A1ALDH1A1

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 KMT2A 2231/4885KDM4E 2321/4885PDE10A 2097/4885

“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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