SCHEMBL6771408

SCHEMBL6771408

O=C(CCl)N1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
POLB P06746 3/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.48
MGLL Q99685 1/20 0.47
TP53 P04637 1/20 0.47
AKR1C3 P42330 1/20 0.46

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
SCHEMBL9519331 0.85 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL8587397 0.85 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL27949581 0.83 LMNA (0.53) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3039451 0.82 KCNJ1 (0.53) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3039444 0.82 SMN1; SMN2 (0.52) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL9363980 0.82 SMN1; SMN2 (0.52) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6397323 0.81 KCNJ1 (0.54) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5724167 0.81 ALDH1A1 (0.67) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL228123 0.81 MEN1 (0.62) KMT2AALDH1A1SMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL5724126 0.81 KCNJ1 (0.52) KMT2AALDH1A1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 KMT2A 562/4885ALDH1A1 518/4885SMN1; SMN2 2877/4885

“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.