SCHEMBL17624909

SCHEMBL17624909

O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.83
ALDH1A1 P00352 3/20 0.83
MPO P05164 3/20 0.78
PRMT5 O14744 1/20 0.76
WDR77 Q9BQA1 1/20 0.76
POLB P06746 4/20 0.73
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
PTPN1 P18031 1/20 0.68
KMT2A Q03164 1/20 0.68
LMNA P02545 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
PKM P14618 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 2/20 0.65
CCNK O75909 1/20 0.65
CDK12 Q9NYV4 1/20 0.65
APEX1 P27695 1/20 0.64

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
SCHEMBL30776649 0.90 PRMT5 (0.78) MAPTALDH1A1MPOPRMT5WDR77
SCHEMBL12486391 0.88 MPO (1.00) MAPTALDH1A1MPOPRMT5WDR77
SCHEMBL12485740 0.88 MPO (0.81) MAPTALDH1A1MPOPRMT5WDR77
SCHEMBL9379490 0.84 KMT2A (0.69) MAPTALDH1A1MPOPOLBCYP1A2
SCHEMBL11116603 0.84 KMT2A (0.69) MAPTALDH1A1MPOPRMT5WDR77
SCHEMBL6273988 0.84 MAPT (0.79) MAPTALDH1A1MPOPRMT5WDR77
SCHEMBL4984149 0.84 MPO (0.64) MAPTALDH1A1MPOPRMT5WDR77
SCHEMBL12486648 0.83 MPO (0.78) MAPTALDH1A1MPOPOLBCYP1A2
SCHEMBL12487210 0.83 MPO (0.78) MAPTALDH1A1MPOPOLBCYP1A2
SCHEMBL15347348 0.83 MPO (1.00) MAPTALDH1A1MPOPOLBKMT2A

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-9521850-B2 Antimicrobial compounds and their use in treating plant disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-20 US disclosed
US-20160081341-A1 ANTIMICROBIAL COMPOUNDS AND THEIR USE IN TREATING PLANT DISEASE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-03-24 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-20160081341-A1 ANTIMICROBIAL COMPOUNDS AND THEIR USE IN TREATING PLANT DISEASE SEC23A, SEC13, NAAA MAPT 838/4885ALDH1A1 3754/4885MPO 49/4885

“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.