SCHEMBL19865069

SCHEMBL19865069

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.48
▸ BRAF P15056 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ IDH2 P48735 3/20 0.38
▸ CASR P41180 1/20 0.37
▸ FYN P06241 1/20 0.37

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
SCHEMBL16250011 1.00 RHOA (0.48) RHOABRAFBRD4CREBBPMEN1
SCHEMBL16249983 1.00 RHOA (0.48) RHOABRAFBRD4CREBBPMEN1
SCHEMBL16238714 0.96 RHOA (0.43) RHOABRAFBRD4CREBBPMEN1
SCHEMBL16249975 0.95 RHOA (0.48) RHOABRAFBRD4CREBBPMEN1
SCHEMBL16775765 0.94 RHOA (0.44) RHOABRAFBRD4CREBBPMEN1
SCHEMBL17618756 0.92 RHOA (0.41) RHOABRAFBRD4CREBBPMEN1
SCHEMBL16238182 0.91 RHOA (0.45) RHOABRAFBRD4CREBBPMEN1
SCHEMBL19365674 0.91 RHOA (0.43) RHOABRAFBRD4CREBBPMEN1
SCHEMBL16238636 0.91 RHOA (0.40) RHOABRAFIDH2CA2CA9
SCHEMBL17618821 0.90 RHOA (0.39) RHOABRAFMEN1KMT2AALDH1A1

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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885BRAF 2804/4885BRD4 194/4885

“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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