SCHEMBL6151147

SCHEMBL6151147

CCOCCn1c(CN2CCNCC2)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
USP2 O75604 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HRH1 P35367 1/20 0.54
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL6586477 0.96 MEN1 (0.54) MEN1KMT2ATSHRALDH1A1USP2
Fumaric Acid SCHEMBL10499414 0.90 TSHR (0.51) MEN1KMT2ATSHRALDH1A1USP2
Fumaric Acid SCHEMBL10499430 0.90 TSHR (0.51) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL10498885 0.88 MEN1 (0.61) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL10498575 0.88 MEN1 (0.72) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL10499011 0.87 MEN1 (0.63) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL10499179 0.86 MEN1 (0.61) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL9636375 0.85 ALDH1A1 (0.44) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL9687118 0.85 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL10498573 0.85 KDM4E (0.74) MEN1KMT2ATSHRALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123962-B1 BENZIMIDAZOLE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION KANEBO, LTD. (JP) 1989-12-27 EP claimed
US-4603130-A ANTIHISTAMINES KANEBO, LTD. (JP) 1986-07-29 US claimed
EP-0123962-A2 Benzimidazole derivative, process for the preparation thereof and pharmaceutical composition KANEBO, LTD. (JP) 1984-11-07 EP claimed
JP-59199679-A None JP disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 WO disclosed
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed
EP-0123962-B1 BENZIMIDAZOLE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION KANEBO, LTD. (JP) 1989-12-27 EP disclosed
US-4603130-A ANTIHISTAMINES KANEBO, LTD. (JP) 1986-07-29 US disclosed
JP-S59199679-A NOVEL BENZIMIDAZOLE DERIVATIVE, ITS PREPARATION AND MEDICINAL COMPOSITION CONTAINING THE SAME KANEBO LTD 1984-11-12 JP disclosed
EP-0123962-A2 Benzimidazole derivative, process for the preparation thereof and pharmaceutical composition KANEBO, LTD. (JP) 1984-11-07 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 MEN1 3799/4885KMT2A 2271/4885TSHR 1214/4885

“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.