SCHEMBL19299372

SCHEMBL19299372

COc1ccc(C(=O)NC(=S)NNC(=O)c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MAPT P10636 6/20 0.91
GAA P10253 4/20 0.91
HTT P42858 3/20 0.91
CYP2C9 P11712 2/20 0.91
RECQL P46063 1/20 0.91
SMN1; SMN2 Q16637 1/20 0.91
MEN1 O00255 4/20 0.71
CRHBP P24387 2/20 0.71
CRHR2 Q13324 2/20 0.71
KDM4E B2RXH2 6/20 0.69
LMNA P02545 3/20 0.69
ALDH1A1 P00352 3/20 0.69
TP53 P04637 1/20 0.69
HPGD P15428 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HSP90AA1 P07900 1/20 0.62
AGTR1 P30556 1/20 0.62
CYP1A2 P05177 1/20 0.61

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
SCHEMBL19294486 0.95 MAPT (1.00) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19299544 0.82 MAPT (0.78) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19299516 0.81 KDM4E (1.00) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19299652 0.80 MAPT (1.00) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19294521 0.80 GAA (0.72) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL14096454 0.80 MAPT (0.76) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19294511 0.79 MAPT (0.75) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL22429058 0.79 CRHBP (0.88) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19299695 0.78 KDM4E (1.00) KMT2AMAPTGAAHTTCYP2C9
SCHEMBL19299696 0.78 GAA (0.68) KMT2AMAPTGAAHTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212183-B1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIV ROCHESTER (US) 2019-10-02 EP disclosed
US-10028931-B2 Synergistic compositions for treating microbial infections UNIVERSITY OF ROCHESTER (US) 2018-07-24 US disclosed
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF ROCHESTER (US) 2017-08-31 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 (2 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-10028931-B2 Synergistic compositions for treating microbial infections RNASE1, RNASEL, RNASEH1 KMT2A 2906/4885MAPT 4406/4885GAA 416/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 KMT2A 2906/4885MAPT 4406/4885GAA 416/4885

“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.