SCHEMBL4476414

SCHEMBL4476414

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
OPRK1 P41145 1/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GBA1 P04062 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5723982 1.00 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5723978 1.00 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
Formic Acid SCHEMBL28194380 0.95 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL8758764 0.93 DPP8 (0.48) ALDH1A1LMNASMN1; SMN2MAPTOPRK1
SCHEMBL5724018 0.92 SMN1; SMN2 (0.51) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5723654 0.90 TDP1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6104418 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6102402 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6104410 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6102412 0.89 GBA1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 EP disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
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
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP 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
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0161541-B1 6-[1-Hydroxyethyl]-2-SR8-1-methyl-1-carba-dethiapen-2-em-3-carboxylic acids MERCK & CO. INC. (US) 1990-12-12 EP disclosed
US-4696923-A THIENAMYCIN ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1987-09-29 US disclosed
EP-0161541-A1 6-[1-Hydroxyethyl]-2-SR8-1-methyl-1-carba-dethiapen-2-em-3-carboxylic acids MERCK & CO. INC. (US) 1985-11-21 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 (3 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 ALDH1A1 1932/4885LMNA 2760/4885SMN1; SMN2 2295/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 ALDH1A1 1862/4885LMNA 3637/4885SMN1; SMN2 3757/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 ALDH1A1 518/4885LMNA 2166/4885SMN1; 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.