SCHEMBL3078864

SCHEMBL3078864

O[C](c1ccccc1)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
LMNA P02545 3/20 0.58
P4HTM Q9NXG6 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NAPRT Q6XQN6 1/20 0.58
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 2/20 0.48
AGTR1 P30556 1/20 0.47
MITF O75030 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
CCR6 P51684 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
SCHEMBL1260719 0.81 KMT2A (0.63) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL18983075 0.79 KMT2A (0.61) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL18983077 0.79 KMT2A (0.61) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL18983080 0.79 KMT2A (0.61) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL31055394 0.77 KMT2A (0.59) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL398165 0.77 KMT2A (1.00) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL29373829 0.77 KMT2A (1.00) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL3816367 0.77 KMT2A (0.59) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL13225623 0.77 KMT2A (0.59) KMT2ALMNAP4HTML3MBTL1NAPRT
SCHEMBL1176928 0.77 KMT2A (0.59) KMT2ALMNAP4HTML3MBTL1NAPRT

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-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
EP-0323864-A2 Lipophilic oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-07-12 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT KMT2A 2179/4885LMNA 3496/4885P4HTM 1892/4885

“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.