SCHEMBL3779862

SCHEMBL3779862

COc1cc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.68
KMT5A Q9NQR1 10/20 0.62
CCR4 P51679 1/20 0.62
CTNNB1 P35222 4/20 0.57
TCF7L2 Q9NQB0 4/20 0.57
HRH4 Q9H3N8 1/20 0.57
EGFR P00533 1/20 0.57

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
Hydrochloric Acid SCHEMBL3637894 0.99 EHMT2 (0.67) EHMT2KMT5ACCR4CTNNB1TCF7L2
SCHEMBL3640926 0.89 EHMT2 (0.67) EHMT2KMT5AHRH4
SCHEMBL3779698 0.89 WHR1 (0.67) EHMT2KMT5ACCR4HRH4EGFR
Hydrochloric Acid SCHEMBL3639996 0.88 WHR1 (0.66) EHMT2KMT5ACCR4HRH4EGFR
SCHEMBL7259546 0.86 KMT5A (0.59) EHMT2KMT5ACCR4CTNNB1TCF7L2
SCHEMBL3643545 0.85 CTNNB1 (0.66) CTNNB1TCF7L2HRH4
SCHEMBL7259303 0.82 KMT5A (0.55) KMT5ACCR4CTNNB1TCF7L2
SCHEMBL25363673 0.81 KMT5A (0.54) EHMT2KMT5ACCR4
SCHEMBL3641690 0.80 CTNNB1 (0.76) CTNNB1TCF7L2HRH4
SCHEMBL3642962 0.79 PDE5A (0.71) EHMT2KMT5AHRH4EGFR

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
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 EHMT2 3769/4885KMT5A 4674/4885CCR4 778/4885

“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.