SCHEMBL3816367

SCHEMBL3816367

C[C](c1ccccc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 2/20 0.57
LMNA P02545 3/20 0.54
P4HTM Q9NXG6 2/20 0.54
NAPRT Q6XQN6 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.46
AGTR1 P30556 1/20 0.45
MITF O75030 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
CCR6 P51684 1/20 0.44

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
SCHEMBL1921316 0.86 ALDH1A1 (0.67) KMT2AALDH1A1LMNAP4HTMNAPRT
SCHEMBL3791474 0.83 ALDH1A1 (0.48) KMT2AALDH1A1LMNAP4HTMNAPRT
SCHEMBL3870748 0.81 RAB9A (0.61) KMT2AALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL22402311 0.80 ALDH1A1 (0.59) KMT2AALDH1A1LMNAP4HTMNAPRT
SCHEMBL5162864 0.80 ALDH1A1 (0.59) KMT2AALDH1A1LMNAP4HTMNAPRT
SCHEMBL947176 0.79
SCHEMBL8708792 0.77 SMN1; SMN2 (0.52) KMT2AALDH1A1KDM4ECES2CES1
SCHEMBL1260719 0.77 KMT2A (0.63) KMT2AALDH1A1LMNAP4HTMNAPRT
SCHEMBL3078864 0.77 KMT2A (0.63) KMT2AALDH1A1LMNAP4HTMNAPRT
SCHEMBL1515056 0.77

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-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP claimed
US-6194451-B1 PREVENT RELEASE TUMOR NECROSIS FACTOR; ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-27 US claimed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 WO disclosed
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP disclosed
US-6194451-B1 PREVENT RELEASE TUMOR NECROSIS FACTOR; ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-27 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 (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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL KMT2A 3747/4885ALDH1A1 1395/4885LMNA 2782/4885

“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.