SCHEMBL19365801

SCHEMBL19365801

Cc1nc(NC(=O)N(c2nc(-c3cncc(C(F)(F)F)c3)ccc2N)C2CCCCC2)sc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ PI4KB Q9UBF8 2/20 0.34
▸ PTGS2 P35354 5/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 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
SCHEMBL19365329 0.90 RAB9A (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL19670378 0.90 RAB9A (0.41) RAB9ANPC1SMN1; SMN2PIK3CDALDH1A1
SCHEMBL19706061 0.89 KDM1A (0.41) RAB9ANPC1SMN1; SMN2PIK3CDALDH1A1
SCHEMBL19365814 0.86 NPC1 (0.41) RAB9ANPC1SMN1; SMN2PIK3CDALDH1A1
SCHEMBL19670636 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL19365429 0.82 POLB (0.36) RAB9ACRHR1PTGS2HDAC2POLB
SCHEMBL19365461 0.81 HDAC1 (0.39) RAB9ACSNK1DHDAC1HDAC2POLB
SCHEMBL19365478 0.81 HDAC3 (0.40) RAB9ANPC1MEN1KMT2AHDAC1
SCHEMBL19365471 0.81 ATR (0.36) RAB9AALDH1A1HDAC1HDAC2POLB
SCHEMBL19670283 0.81 RAB9A (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAB9A 1471/4885NPC1 3380/4885SMN1; SMN2 2122/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAB9A 1471/4885NPC1 3380/4885SMN1; SMN2 2122/4885

“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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