SCHEMBL5498592

SCHEMBL5498592

O=c1[nH]sc2ccc(F)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MAPT P10636 3/20 0.72
LMNA P02545 2/20 0.72
POLB P06746 1/20 0.72
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
DDAH1 O94760 1/20 0.53
CASP3 P42574 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MAOA P21397 1/20 0.46
MPI P34949 7/20 0.42
PMM2 O15305 4/20 0.42
APOBEC3G Q9HC16 4/20 0.42
G6PD P11413 3/20 0.42
DAO P14920 1/20 0.41
PARP1 P09874 1/20 0.41
PHOSPHO1 Q8TCT1 3/20 0.40
TLR9 Q9NR96 1/20 0.40
MIF P14174 2/20 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
SCHEMBL29881669 1.00 ALDH1A1 (0.72) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL8130952 0.84 ALDH1A1 (1.00) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL17102187 0.77 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLB
SCHEMBL3868022 0.76 MAPT (0.53) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL79949 0.76 LMNA (0.53) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL4722581 0.76 MAPT (0.53) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL18074682 0.76 LMNA (0.53) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL11540248 0.73 POLB (0.44) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL8807782 0.72 KDM4E (0.48) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL18122808 0.72 MAOA (0.59) ALDH1A1MAPTLMNAPOLBKDM4E

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 6 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
EP-1066259-B1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 EP disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 US disclosed
EP-1066259-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
WO-1999051578-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-14 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-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS DTYMK, TYMP, TK1 ALDH1A1 1743/4885MAPT 2559/4885LMNA 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.