SCHEMBL16776144

SCHEMBL16776144

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2)CCCCN3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CA9 Q16790 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR1 P21554 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FRK P42685 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ NEK4 P51957 1/20 0.37
▸ PRKCD Q05655 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
SCHEMBL16776146 0.90 HTR2C (0.48) ALDH1A1
SCHEMBL16776476 0.87 CA2 (0.43) KMT2AMEN1CA9EGFRKMO
SCHEMBL16775920 0.86 FAAH (0.41) SMN1; SMN2ALDH1A1FAAHRPS6KA2LMNA
SCHEMBL16776157 0.86 ROCK2 (0.36) CA9RPS6KA2
SCHEMBL16776011 0.85 CA9 (0.38) KMT2AMEN1CA9CNR1ALDH1A1
SCHEMBL16776022 0.84 RPS6KA2 (0.41) KMT2AMEN1CA9FAAHRPS6KA2
SCHEMBL20632930 0.84 KMT2A (0.45) KMT2AMEN1CA9PKMSMN1; SMN2
SCHEMBL16776454 0.83 HTR1A (0.34) CNR1FAAHPRKCILMNAPDPK1
SCHEMBL16776024 0.82 IMPDH2 (0.46) CA9CNR1ALDH1A1RPS6KA2CREBBP
SCHEMBL16776149 0.82 FGFR4 (0.48) KMT2AMEN1CA9SMN1; SMN2CNR1

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 KMT2A 1438/4885MEN1 3676/4885CA9 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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