SCHEMBL19699461

SCHEMBL19699461

CC(C)C(=O)Nc1cncc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 4/20 0.45
GSK3B P49841 2/20 0.45
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.43
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MLYCD O95822 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL16252545 0.81 KMT2A (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL12827167 0.80 DYRK1A (0.50) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL2713283 0.80 KMT2A (0.56) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12011569 0.79 ALDH1A1 (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL21349064 0.79 KMT2A (0.45) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3935512 0.78 HCAR2 (0.52) CYP2C9RAB9ANPC1DYRK1AALDH1A1
SCHEMBL2690978 0.77 RIPK2 (0.45) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15627409 0.77 KMT2A (0.42) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL13780124 0.76 TSHR (0.47) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL30010468 0.76 TSHR (0.47) KMT2AMEN1RAB9ANPC1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (3 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1922/4885MEN1 3093/4885CYP1A2 2450/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1870/4885MEN1 3209/4885CYP1A2 2481/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1870/4885MEN1 3209/4885CYP1A2 2481/4885

“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.