SCHEMBL12818167

SCHEMBL12818167

Cc1cc(=O)[nH]c(SCC#N)c1C#N

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.78
▸ TSHR P16473 1/20 0.68
▸ KMT2A Q03164 5/20 0.59
▸ HPGD P15428 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.56
▸ LMNA P02545 5/20 0.55
▸ HTT P42858 4/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALOX15 P16050 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ UPP1 Q16831 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PKM P14618 1/20 0.49

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
SCHEMBL14110759 0.81 TSHR (1.00) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL23183510 0.81 TSHR (0.80) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL4896857 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26403803 0.79 TSHR (0.67) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL20339496 0.78 KDM4E (0.70) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26404201 0.77 TSHR (0.74) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26404278 0.74 KMT2A (0.58) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26847597 0.74 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26404230 0.74 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AHPGDTDP1
SCHEMBL26404305 0.74 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — US disclosed
WO-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 — — WO 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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 ALDH1A1 370/4885TSHR 4389/4885KMT2A 1309/4885

“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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