SCHEMBL16776294

SCHEMBL16776294

Cc1nc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4NCC[C@H]3C)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.48
▸ MAPT P10636 4/20 0.42
▸ RPS6KA3 P51812 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ OTUD7B Q6GQQ9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL16776479 0.88 SLC5A1 (0.41) MAPTLMNAFYNRAF1HTT
SCHEMBL16776472 0.86 CA2 (0.41) FYNRAF1KDM1ABRAF
SCHEMBL19365568 0.86 RHOA (0.50) RHOAMAPTRPS6KA3LMNAMAPK1
SCHEMBL16776434 0.85 PTGER3 (0.39) RHOAFYNRAF1BRAFMEN1
SCHEMBL16775863 0.85 TRPA1 (0.41) MAPTMAPK1FYNKDM1ACFTR
SCHEMBL16785534 0.85 SLC5A1 (0.43) FYNRAF1BRAF
SCHEMBL16776417 0.84 SMN1; SMN2 (0.38) MAPTLMNAFYNRAF1HTT
SCHEMBL16776419 0.84 BRAF (0.40) MAPTLMNAFYNRAF1HTT
SCHEMBL16776355 0.84 CA2 (0.41) FYNKDM1ACFTR
SCHEMBL16776418 0.83 RXFP1 (0.37) MAPTLMNAFYNRAF1HTT

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 1 patent. 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

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 RHOA 4798/4885MAPT 267/4885RPS6KA3 2368/4885

“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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