SCHEMBL11894873

SCHEMBL11894873

O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2cc(C(=O)O)c3c(ccc4nn(-c5ccccc5)nc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ BCL2L1 Q07817 2/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL11894968 0.92 MCL1 (0.42) P4HTMPTGS1PTGS2EGFRBCL2L1
SCHEMBL11894532 0.91 PLA2G2A (0.41) P4HTMMEN1KMT2AALDH1A1PTGS1
SCHEMBL11895186 0.90 PHGDH (0.41) KMT2AALDH1A1EGFRHDAC3CYP19A1
SCHEMBL11894883 0.88 MAPT (0.45) MEN1KMT2AALDH1A1EGFRHDAC3
SCHEMBL11894570 0.87 CASP1 (0.46) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL11895094 0.85 CYP19A1 (0.41) KMT2AALDH1A1EGFRHTTNPC1
SCHEMBL11895142 0.84 MCL1 (0.42) MEN1KMT2AALDH1A1PTGS1PTGS2
SCHEMBL11894918 0.82 PLA2G2A (0.42) MEN1KMT2AALDH1A1EGFRHPGD
SCHEMBL11894666 0.82 MYC (0.43) MEN1KMT2AALDH1A1NPC1CYP19A1
SCHEMBL11895064 0.81 KMT2A (0.40) MEN1KMT2AALDH1A1HTTNPC1

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 P4HTM 1926/4885MEN1 2020/4885KMT2A 2231/4885

“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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