SCHEMBL3779698

SCHEMBL3779698

COc1cc2nc(N3CCC(F)(F)CC3)nc(NCc3ccc(F)cc3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 7/20 0.67
EHMT2 Q96KQ7 5/20 0.59
EHMT1 Q9H9B1 1/20 0.59
HRH4 Q9H3N8 1/20 0.55
EGFR P00533 1/20 0.54
CCR4 P51679 2/20 0.54
EZH2 Q15910 1/20 0.53
KMT5A Q9NQR1 4/20 0.52

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 SCHEMBL3639996 0.99 WHR1 (0.66) WHR1EHMT2EHMT1HRH4EGFR
SCHEMBL3779862 0.89 EHMT2 (0.68) EHMT2HRH4EGFRCCR4KMT5A
Hydrochloric Acid SCHEMBL3637894 0.88 EHMT2 (0.67) EHMT2HRH4EGFRCCR4KMT5A
SCHEMBL3644755 0.86 HRH4 (0.55) HRH4
SCHEMBL3638792 0.81 CTNNB1 (0.62) HRH4
SCHEMBL25231380 0.81 EHMT2 (0.70) EHMT2EHMT1EZH2KMT5A
SCHEMBL22144607 0.81 EHMT2 (0.70) WHR1EHMT2EHMT1EZH2KMT5A
SCHEMBL25234583 0.81 EHMT2 (0.69) EHMT2EHMT1EZH2KMT5A
SCHEMBL22144630 0.80 WHR1 (1.00) WHR1EHMT2EHMT1KMT5A
SCHEMBL22144612 0.80 WHR1 (0.85) WHR1EHMT2EHMT1HRH4CCR4

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 WHR1 3571/4885EHMT2 3769/4885EHMT1 4194/4885

“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.