SCHEMBL17782899

SCHEMBL17782899

O=c1[nH]sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
KDM4E B2RXH2 2/20 0.48
DDAH1 O94760 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
PARP1 P09874 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAOA P21397 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KIF11 P52732 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
G6PD P11413 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL25828724 0.79 ALDH1A1 (0.53) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL8130952 0.76 ALDH1A1 (1.00) MAPTALDH1A1LMNAPOLBKDM4E
Ticlatone SCHEMBL193888 0.72 ALDH1A1 (0.61) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL5807922 0.72 ALDH1A1 (0.61) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL11737600 0.72 ALDH1A1 (0.61) MAPTALDH1A1LMNAPOLBKDM4E
Ticlatone SCHEMBL30165586 0.72 ALDH1A1 (0.61) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL13455388 0.72 ALDH1A1 (0.61) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL28961839 0.69 PARP1 (0.50) MAPTKDM4EPARP1HSD17B10CA12
SCHEMBL30039894 0.69 PARP1 (0.50) MAPTKDM4EPARP1HSD17B10CA12
SCHEMBL9827851 0.68 LMNA (0.56) MAPTALDH1A1LMNAPOLBKDM4E

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-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 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-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS DTYMK, TYMP, TK1 MAPT 2559/4885ALDH1A1 1743/4885LMNA 4164/4885

“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.