SCHEMBL6863607

SCHEMBL6863607

COC(=O)CCC(=O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
PLOD2 O00469 2/20 0.58
TBXAS1 P24557 1/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 1/20 0.56
PLOD3 O60568 1/20 0.53
PLOD1 Q02809 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
F7 P08709 1/20 0.47

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
SCHEMBL30109394 1.00 ALDH1A1 (0.60) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
SCHEMBL30489909 0.87 PLOD2 (0.67) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
SCHEMBL82139 0.87 PLOD2 (0.67) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
SCHEMBL7075878 0.86 PLOD2 (0.69) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
Hydrochloric Acid SCHEMBL6946997 0.85 PLOD2 (0.65) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
SCHEMBL17895063 0.84 ALDH1A1 (0.66) ALDH1A1PLOD2TBXAS1KMT2AMEN1
SCHEMBL6158655 0.84 TBXAS1 (0.58) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
Hydrochloric Acid SCHEMBL11375570 0.83 TBXAS1 (0.57) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
SCHEMBL29835154 0.83 PLOD2 (0.50) ALDH1A1PLOD2TBXAS1HDAC1HDAC8
SCHEMBL17884960 0.83 PLOD2 (0.50) ALDH1A1PLOD2TBXAS1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
EP-0999204-B1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU KK (JP) 2004-10-13 EP disclosed
US-6399606-B1 3-(((2R)-2-(((2-FLUOROPHENYL)AMINO)CARBONYLAMINO)-2-(METHOXY CARBONYL)ETHYLTHIO)METHYL)-4-OXO-4-(3-PYRIDYL)BUTANOIC ACID; TREATMENT OF CHEMOTHERAPY INDUCED NEUROPATHY NIPPON KAYAKU CO., LTD. (JP) 2002-06-04 US disclosed
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ALDH1A1 2019/4885PLOD2 4356/4885TBXAS1 1727/4885

“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.