SCHEMBL16743643

SCHEMBL16743643

COc1ccc(CSc2nc(C)cc(O)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
LMNA P02545 3/20 0.53
MMP13 P45452 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 3/20 0.51
KDM1A O60341 1/20 0.51
MIF P14174 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
MITF O75030 1/20 0.51
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL97659 0.91 NPC1 (0.54) LMNAMMP13ALDH1A1TDP1L3MBTL1
Bicarbonate SCHEMBL11298239 0.86 KDM4E (0.60) HTTLMNAMMP13ALDH1A1TDP1
SCHEMBL13067230 0.85 HTT (0.59) HTTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6637213 0.84 TP53 (0.56) LMNAMMP13ALDH1A1TDP1L3MBTL1
SCHEMBL13067211 0.84 HTT (0.58) HTTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL13067223 0.82 HTT (0.79) HTTLMNAALDH1A1TDP1KDM1A
SCHEMBL12283046 0.82 HTT (0.56) HTTALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5312755 0.82 HTT (0.56) HTTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL21338135 0.82 ALDH1A1 (0.49) HTTLMNAALDH1A1TDP1L3MBTL1
SCHEMBL1520968 0.82 SMN1; SMN2 (0.57) HTTLMNAALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP HTT 4119/4885LMNA 2913/4885MMP13 3762/4885

“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.