SCHEMBL19670350

SCHEMBL19670350

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(N3CCCCC3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.45
▸ DGAT2 Q96PD7 1/20 0.44
▸ CCR3 P51677 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ CASR P41180 1/20 0.40
▸ CNR1 P21554 7/20 0.39
▸ BRAF P15056 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LIMK2 P53671 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ FAAH O00519 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
SCHEMBL16775749 0.93 DGAT2 (0.43) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL19365395 0.92 RHOA (0.40) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL16250007 0.90 RHOA (0.45) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL16238213 0.90 RHOA (0.45) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL16239267 0.90 RHOA (0.45) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL16238216 0.90 RHOA (0.45) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL17618864 0.89 RHOA (0.43) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL17618491 0.88 RHOA (0.41) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL19365682 0.88 RHOA (0.46) RHOADGAT2CCR3BRD4CREBBP
SCHEMBL19670606 0.88 RHOA (0.46) RHOADGAT2CCR3BRD4CREBBP

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (3 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 4858/4885DGAT2 1022/4885CCR3 4873/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885DGAT2 1047/4885CCR3 4863/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885DGAT2 1047/4885CCR3 4863/4885

“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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