SCHEMBL4076546

SCHEMBL4076546

Cn1nc(CNC(=O)c2ccccc2C=O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ HTT P42858 3/20 0.44
▸ HPGD P15428 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL3375041 0.71 HPGD (0.53) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL10117106 0.71 KMT2A (0.49) ALDH1A1HTTHPGDLMNATSHR
SCHEMBL10279067 0.69 LMNA (0.43) ALDH1A1HTTHPGDLMNAKDM4E
SCHEMBL728983 0.69 GAA (0.55) ALDH1A1LMNATSHRPOLB
SCHEMBL24696326 0.68 TSHR (0.57) ALDH1A1HTTHPGDKDM4ETSHR
SCHEMBL10495305 0.68 HTT (0.41) HTTHPGDLMNAKDM4ESMN1; SMN2
SCHEMBL13624736 0.68 TSHR (0.41) ALDH1A1HTTHPGDTSHR
SCHEMBL16157270 0.68 KMT2A (0.41) HTTHPGDLMNAKDM4ESMN1; SMN2
SCHEMBL15728763 0.68 KEAP1 (0.53) LMNAKDM4ERAB9A
SCHEMBL3093204 0.68 CYP1A2 (0.42) HTTHPGDLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT ALDH1A1 302/4885HTT 1162/4885HPGD 254/4885

“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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