SCHEMBL11895065

SCHEMBL11895065

CS(=O)(=O)CNc1ccccc1-c1cc(C(=O)O)c2c(ccc3nn(-c4ccccc4)nc32)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ HPGD P15428 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ NPC1 O15118 6/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL11894640 0.92 TDP1 (0.38) PARP1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL11895162 0.85 CYP19A1 (0.41) SMN1; SMN2TP53CYP19A1ALDH1A1KDM4E
SCHEMBL11895094 0.83 CYP19A1 (0.41) SMN1; SMN2CYP19A1ALDH1A1KDM4EHPGD
SCHEMBL11895177 0.82 CYP19A1 (0.40) PARP1SMN1; SMN2CYP19A1ALDH1A1KDM4E
SCHEMBL11894683 0.78 ALDH1A1 (0.43) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL11895208 0.77 ALDH1A1 (0.48) SMN1; SMN2TP53CYP19A1ALDH1A1KDM4E
SCHEMBL11895064 0.76 KMT2A (0.40) PARP1SMN1; SMN2TP53CYP19A1ALDH1A1
SCHEMBL11895186 0.75 PHGDH (0.41) SMN1; SMN2CYP19A1ALDH1A1KDM4EKMT2A
SCHEMBL11894883 0.75 MAPT (0.45) TP53CYP19A1ALDH1A1KDM4EKMT2A
SCHEMBL11894666 0.74 MYC (0.43) PARP1SMN1; SMN2CYP19A1ALDH1A1KDM4E

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 PARP1 3986/4885SMN1; SMN2 4259/4885TP53 1808/4885

“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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