SCHEMBL6401181

SCHEMBL6401181

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(S)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 3/20 0.49
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AKR1C3 P42330 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL6400164 0.93 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL9854866 0.93 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL562016 0.93 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL23199288 0.89 CYP1A2 (0.50) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL28556696 0.88 CYP1A2 (0.52) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL5724018 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL10636257 0.88 TPSAB1 (0.49) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL5724109 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL10639271 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL12912355 0.87 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 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-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 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
US-RE34960-E Carbapenem compounds, and compositions containing them SANKYO COMPANY, LIMITED (JP) 1995-05-30 US 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-4742052-A Antibacterial β-lactam compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-05-03 US disclosed
EP-0070204-B1 CARBOXYLIC BETA-LACTAM COMPOUNDS AND THE PREPARATION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-19 EP disclosed
US-4696923-A THIENAMYCIN ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1987-09-29 US disclosed
EP-0165384-A1 Carbapenem derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-12-27 EP disclosed
EP-0160876-A1 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids MERCK & CO. INC. (US) 1985-11-13 EP disclosed
US-4552873-A BACTERICIDES SANKYO COMPANY LIMITED (JP) 1985-11-12 US disclosed
EP-0072710-A1 Carbapenem derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1983-02-23 EP disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 SMN1; SMN2 3757/4885ALDH1A1 1862/4885LMNA 3637/4885

“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.