SCHEMBL4469336

SCHEMBL4469336

NC(=O)c1cccnc1/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
CAPN1 P07384 2/20 0.47
CTSB P07858 1/20 0.47
PARP1 P09874 1/20 0.46
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
NAPRT Q6XQN6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL4469339 1.00 SIRT2 (0.50) SIRT2KDM4EMAPTALDH1A1HPGD
SCHEMBL1905604 0.87 KDM4E (0.52) KDM4EMAPTALDH1A1LMNACAPN1
SCHEMBL1905601 0.87 KDM4E (0.52) KDM4EMAPTALDH1A1LMNACAPN1
SCHEMBL3651141 0.85 PARP1 (0.47) SIRT2KDM4EMAPTALDH1A1HPGD
SCHEMBL1905930 0.81 HSD17B10 (0.59) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL1905928 0.81 HSD17B10 (0.59) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL31702907 0.80 PARP1 (0.49) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL14125804 0.78 PARP1 (0.53) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5664766 0.78 PARP1 (0.53) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL6806101 0.77 KDM4E (0.49) KDM4EMAPTALDH1A1LMNACAPN1

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
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
US-5391554-A Antitumor agent WARNER-LAMBERT COMPANY (US) 1995-02-21 US disclosed
WO-1994005664-A1 NAPHTHYRIDINES AS POTENTIATORS OF LETHAL EFFECTS OF RADIATION ON TUMOUR CELLS WARNER-LAMBERT COMPANY (US) 1994-03-17 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 (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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 SIRT2 989/4885KDM4E 405/4885MAPT 1573/4885

“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.