SCHEMBL16776401

SCHEMBL16776401

CS(=O)(=O)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)CCCN3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.42
▸ CREBBP Q92793 3/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ RHOA P61586 1/20 0.38
▸ IMPDH2 P12268 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ EDNRA P25101 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL16776024 0.90 IMPDH2 (0.46) BRAFCREBBPBRD4LIMK2RHOA
SCHEMBL16776210 0.87 BRAF (0.42) BRAFCREBBPBRD4LIMK2RHOA
SCHEMBL16775995 0.86 BRAF (0.41) BRAFLIMK2RPS6KA3RPS6KA2CNR1
SCHEMBL16775875 0.86 RHOA (0.46) BRAFCREBBPBRD4LIMK2RHOA
SCHEMBL19670430 0.84 BRAF (0.41) BRAFCREBBPBRD4LIMK2RHOA
SCHEMBL16776150 0.81 KCNH2 (0.39) PRKDCATMATRPIK3CAPIK3CG
SCHEMBL16776410 0.80 CREBBP (0.38) BRAFCREBBPBRD4RHOAIMPDH2
SCHEMBL16776409 0.78 WNT1 (0.39) BRAFCREBBPBRD4HDAC3HDAC4
SCHEMBL16776424 0.78 DYRK1A (0.40) BRAF
SCHEMBL16776298 0.77 RHOA (0.39) BRAFRHOA

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 BRAF 3419/4885CREBBP 528/4885BRD4 180/4885

“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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