SCHEMBL3725459

SCHEMBL3725459

COc1ccccc1OCc1nnc(N)s1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
MAPT P10636 2/20 0.65
ALDH1A1 P00352 6/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 2/20 0.55
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.50
PTPRE P23469 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL30287480 1.00 POLB (0.74) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL3729107 0.84 MAPT (0.78) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL3729052 0.81 HTT (0.74) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL3736372 0.81 MAPT (0.61) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL30282807 0.81 HTT (0.74) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL5446313 0.81 RAB9A (0.66) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL3728335 0.79 MAPT (0.62) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL3723685 0.79 MAPT (0.58) POLBMAPTALDH1A1HPGDRAB9A
SCHEMBL11324576 0.78 POLB (0.61) POLBMAPTALDH1A1HPGDKDM4E
SCHEMBL3729134 0.78 MAPT (0.57) POLBMAPTALDH1A1HPGDRAB9A

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
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 POLB 3408/4885MAPT 2890/4885ALDH1A1 458/4885

“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.