SCHEMBL17618888

SCHEMBL17618888

CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ RORC P51449 9/20 0.41
▸ PTPRB P23467 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPY2R P49146 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL16250024 0.96 NAMPT (0.41) NAMPTRORCPTPRBTSHRKMT2A
SCHEMBL19670369 0.96 NAMPT (0.41) NAMPTRORCPTPRBTSHRKMT2A
SCHEMBL19669054 0.96 NAMPT (0.41) NAMPTRORCPTPRBTSHRKMT2A
Hydrochloric Acid SCHEMBL17770586 0.93 NAMPT (0.39) NAMPTRORCPTPRBCA2CA9
SCHEMBL19862439 0.91 KMT2A (0.41) TSHRKMT2ANPY2RCA2CA9
SCHEMBL20632966 0.88 CA2 (0.39) RORCTSHRKMT2ANPY2RCA2
SCHEMBL16250003 0.87 CA2 (0.42) KMT2ANPY2RCA2CA9
SCHEMBL16249987 0.87 KDM4E (0.41) TSHRKMT2ACA2CA9TRPV4
SCHEMBL19670419 0.87 KMT2A (0.38) RORCTSHRKMT2ANPY2RCA2
Hydrochloric Acid SCHEMBL16238420 0.87 CA2 (0.42) KMT2ANPY2RCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NAMPT 63/4885RORC 3352/4885PTPRB 4457/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NAMPT 74/4885RORC 2889/4885PTPRB 4509/4885

“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.

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