SCHEMBL16776052

SCHEMBL16776052

C[C@H]1CCCNc2ccc(-c3cccc(N(C)C)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ BRAF P15056 1/20 0.41
▸ LIMK2 P53671 1/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ RHOA P61586 2/20 0.36
▸ GSK3B P49841 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ NCF1 P14598 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MTOR P42345 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
SCHEMBL16776108 0.86 CREBBP (0.45) CREBBPBRD4BRAFLIMK2CNR1
SCHEMBL19670284 0.86 BRAF (0.41) CREBBPBRD4BRAFLIMK2CNR1
SCHEMBL16775979 0.84 CREBBP (0.44) CREBBPBRD4BRAFLIMK2CNR1
SCHEMBL16776407 0.83 CREBBP (0.44) CREBBPBRD4BRAFLIMK2RHOA
SCHEMBL16776047 0.82 KARS1 (0.36) GSK3BDYRK1AWNT1ATRSMN1; SMN2
SCHEMBL16776139 0.82 KARS1 (0.36) GSK3BDYRK1AWNT1ATRSMN1; SMN2
SCHEMBL19365543 0.81 BRAF (0.43) CREBBPBRD4BRAFLIMK2CNR1
SCHEMBL16776123 0.81 ABL1 (0.38) GSK3BDYRK1ASMN1; SMN2
SCHEMBL17624674 0.80 BRAF (0.41) CREBBPBRD4BRAFLIMK2CNR1
SCHEMBL16785510 0.80 BRAF (0.41) CREBBPBRD4BRAFLIMK2CNR1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885BRAF 3419/4885

“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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