SCHEMBL17618883

SCHEMBL17618883

NCCCc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc(-c2cnco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.40
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ DYRK1A Q13627 3/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ SRPK1 Q96SB4 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32

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
SCHEMBL17618882 0.96 RHOA (0.42) RHOACA2CA9CCR3DYRK1A
SCHEMBL16238714 0.91 RHOA (0.43) RHOACA2CA9DYRK1AGSK3B
SCHEMBL17624672 0.89 RHOA (0.35) RHOACCR3DYRK1AGSK3B
SCHEMBL16250015 0.88 RHOA (0.38) RHOACA2CA9MAPTMEN1
SCHEMBL16250011 0.88 RHOA (0.48) RHOACA2CA9CCR3MAPT
SCHEMBL19865069 0.88 RHOA (0.48) RHOACA2CA9CCR3MAPT
SCHEMBL16249983 0.88 RHOA (0.48) RHOACA2CA9CCR3MAPT
SCHEMBL17618756 0.88 RHOA (0.41) RHOACA2CA9MAPTMEN1
SCHEMBL16238473 0.87 RHOA (0.38) RHOACA2CA9CCR3DYRK1A
SCHEMBL19365674 0.87 RHOA (0.43) RHOACA2CA9SLC9A1MAPT

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-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 (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 4858/4885CA2 4636/4885CA9 4430/4885

“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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