SCHEMBL19699552

SCHEMBL19699552

CC(C)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.68
MAPK1 P28482 1/20 0.68
PTK2 Q05397 1/20 0.67
TDP1 Q9NUW8 3/20 0.59
TSHR P16473 2/20 0.59
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 5/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
NPC1 O15118 2/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 1/20 0.55
FFAR2 O15552 1/20 0.55

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
SCHEMBL29806129 0.88 L3MBTL1 (0.67) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL29806209 0.88 L3MBTL1 (0.67) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL29078001 0.87 L3MBTL1 (0.65) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL29078002 0.87 L3MBTL1 (0.65) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL11373359 0.85 RAB9A (0.70) L3MBTL1MAPK1PTK2TDP1ALDH1A1
SCHEMBL208502 0.84 L3MBTL1 (0.68) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL26503537 0.83 L3MBTL1 (0.72) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL9891790 0.81 RAB9A (0.68) ALDH1A1KDM4ELMNARAB9ATP53
SCHEMBL1431137 0.80 PTK2 (1.00) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL24654650 0.80 L3MBTL1 (0.78) L3MBTL1MAPK1PTK2TDP1TSHR

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
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP 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
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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 L3MBTL1 3355/4885MAPK1 1307/4885PTK2 4088/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 L3MBTL1 3276/4885MAPK1 1369/4885PTK2 4052/4885

“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.