SCHEMBL16775915

SCHEMBL16775915

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc4nn(C)cc4c2)CCCN3)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ IRAK4 Q9NWZ3 6/20 0.37
▸ MAOA P21397 3/20 0.36
▸ MAOB P27338 3/20 0.36
▸ RPS6KA3 P51812 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MLLT1 Q03111 1/20 0.34

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
SCHEMBL16776212 0.89 NOTUM (0.39) NOTUMKDM4EIRAK4MAOAMAOB
SCHEMBL16776144 0.81 KMT2A (0.44) CA9CNR1RPS6KA2ALDH1A1CREBBP
SCHEMBL16776011 0.79 CA9 (0.38) CA9RPS6KA3CNR1RPS6KA2ALDH1A1
SCHEMBL16776146 0.79 HTR2C (0.48) ALDH1A1
SCHEMBL16776024 0.78 IMPDH2 (0.46) CA9RPS6KA3CNR1RPS6KA2ALDH1A1
SCHEMBL16775911 0.77 RPS6KA3 (0.43) RPS6KA3CNR1RPS6KA2
SCHEMBL16776318 0.77 AURKA (0.38) KDM4ECA9RPS6KA2ALDH1A1RAB9A
SCHEMBL16776022 0.77 RPS6KA2 (0.41) CA9RPS6KA2
SCHEMBL16776313 0.77 NAMPT (0.40) CNR1ALDH1A1CREBBPRAB9A
SCHEMBL16776311 0.77 MAOA (0.39) NOTUMCA9MAOAMAOBRPS6KA2

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 NOTUM 3260/4885KDM4E 950/4885CA9 4248/4885

“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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