SCHEMBL4067157

SCHEMBL4067157

C[C@H](c1nc2ccc(Cl)cc2[nH]1)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 3/20 0.54
SCN10A Q9Y5Y9 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
ALOX15 P16050 1/20 0.50
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
PSMB8 P28062 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL589560 0.85 SCN10A (0.70) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL10206292 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL11740622 0.83 ALDH1A1 (0.61) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL10749817 0.82 ALDH1A1 (0.59) CYP1A2ALDH1A1HPGDHTTUSP2
SCHEMBL5100681 0.81 ALDH1A1 (0.57) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL580877 0.81 ALDH1A1 (0.57) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL16198451 0.80 CYP1A2 (0.59) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL5100698 0.78 CYP1A2 (0.50) CYP1A2ALDH1A1SCN10AHPGDHTT
SCHEMBL4069263 0.75 ALDH1A1 (0.50) CYP1A2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16198318 0.74 HSD17B10 (0.58) CYP1A2ALDH1A1HPGDTDP1HTR3E

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
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT CYP1A2 677/4885ALDH1A1 302/4885SCN10A 3496/4885

“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.