SCHEMBL5089045

SCHEMBL5089045

O=C(O)C1(c2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
APP P05067 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL7424106 0.93 VCAM1 (0.48) VCAM1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6583318 0.82 TSHR (0.54) MEN1KMT2AAKR1C3AKR1C2LMNA
SCHEMBL5089055 0.81 HSD11B1 (0.58) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL7419998 0.81 VCAM1 (0.44) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL29924837 0.79 APP (0.52) AKR1C3AKR1C2APPCYP3A4CYP2C9
SCHEMBL301864 0.79 APP (0.66) AKR1C3AKR1C2APPCYP3A4CYP2C9
SCHEMBL7412565 0.78 HCAR3 (0.57) AKR1C3AKR1C2MAPTAPPCYP3A4
SCHEMBL31480948 0.78 LMNA (0.48) MEN1KMT2ALMNAMAPTCYP3A4
SCHEMBL7492985 0.78 VCAM1 (0.48) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL7376970 0.77 ITGB1 (0.52) VCAM1MEN1KMT2ALMNAMAPT

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
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 VCAM1 1726/4885MEN1 888/4885KMT2A 3156/4885

“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.