SCHEMBL5008474

SCHEMBL5008474

CCC(=O)NCc1ccc(OC)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
MLLT1 Q03111 1/20 0.50
ADORA2A P29274 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CHRM4 P08173 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NNMT P40261 1/20 0.44
SMO Q99835 1/20 0.43

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
Hydrochloric Acid SCHEMBL5012099 0.98 NAMPT (0.51) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL19002492 0.88 MLLT1 (0.51) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL19002497 0.85 HPGD (0.56) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL19002285 0.85 ACACB (0.51) MEN1KMT2AKDM4EMAPT
SCHEMBL13732315 0.84 NAMPT (0.57) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL1685921 0.84 MLLT1 (0.55) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL27596803 0.83 NAMPT (0.53) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL23847789 0.82 NAMPT (0.58) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL19318506 0.81 ADORA2A (0.51) NAMPTMLLT1ADORA2AMEN1KMT2A
SCHEMBL14075257 0.80 NAMPT (0.49) NAMPTMAPTSMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
CN-118561801-A Benzo [ d ] [1,3] dioxoles compound, preparation method and application thereof 上海医药集团股份有限公司 2024-08-30 CN disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC NAMPT 331/4885MLLT1 3663/4885ADORA2A 1270/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NAMPT 2652/4885MLLT1 4175/4885ADORA2A 2666/4885

“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.