SCHEMBL4429003

SCHEMBL4429003

CC(=O)Nc1ccncc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 13/20 0.54
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM6B O15054 7/20 0.47
KDM4D Q6B0I6 5/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4A O75164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42

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
SCHEMBL31620734 1.00 KDM4C (0.54) KDM4CKDM4EHSD17B10KDM6BKDM4D
SCHEMBL4439968 0.86 KDM4C (0.69) KDM4CKDM4EKDM6BKDM4DKDM4A
SCHEMBL3823398 0.83 KDM4C (0.76) KDM4CKDM4EKDM6BKDM4DKDM4A
SCHEMBL14690552 0.83 MAPK8 (0.54) KDM4EHSD17B10ALDH1A1KMT2AL3MBTL1
Acetone SCHEMBL2032550 0.82 KDM4C (0.54) KDM4CKDM4EKDM6BKDM4DKDM4A
SCHEMBL10338664 0.81 KDM4C (0.47) KDM4CKDM6BKDM4DPOLBMEN1
Acetone SCHEMBL15923153 0.81 KDM4C (0.53) KDM4CKDM4EKDM6BKDM4DKDM4A
SCHEMBL188821 0.79 KDM4C (0.55) KDM4CKDM4EKDM6BKDM4DKDM4A
SCHEMBL19611328 0.79 KDM4C (0.55) KDM4CKDM4EKDM6BKDM4DKDM4A
SCHEMBL9616247 0.79 KDM4C (0.55) KDM4CKDM4EKDM6BKDM4DKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO 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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT KDM4C 4841/4885KDM4E 4674/4885HSD17B10 1052/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT KDM4C 4841/4885KDM4E 4674/4885HSD17B10 1052/4885

“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.