SCHEMBL17624595

SCHEMBL17624595

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCC[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.45
▸ DGAT2 Q96PD7 1/20 0.41
▸ CCR3 P51677 1/20 0.39
▸ CASR P41180 1/20 0.38
▸ ROCK2 O75116 2/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PAX8 Q06710 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL20632824 1.00 RHOA (0.45) RHOADGAT2CCR3CASRROCK2
SCHEMBL19670612 1.00 RHOA (0.45) RHOADGAT2CCR3CASRROCK2
SCHEMBL19706222 0.90 RHOA (0.43) RHOACCR3CASRNPC1RAB9A
SCHEMBL19706152 0.89 RHOA (0.46) RHOADGAT2CCR3CASRROCK2
SCHEMBL19706086 0.89 RHOA (0.46) RHOADGAT2CCR3CASRROCK2
SCHEMBL16249989 0.89 RHOA (0.46) RHOADGAT2CCR3CASRROCK2
SCHEMBL19670606 0.89 RHOA (0.46) RHOADGAT2CCR3CASRROCK2
SCHEMBL19365682 0.89 RHOA (0.46) RHOADGAT2CCR3CASRROCK2
SCHEMBL16238216 0.89 RHOA (0.45) RHOADGAT2CCR3CASRROCK2
SCHEMBL16250007 0.89 RHOA (0.45) RHOADGAT2CCR3CASRROCK2

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-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

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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885DGAT2 1022/4885CCR3 4873/4885

“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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