SCHEMBL6895462

SCHEMBL6895462

CC(=O)c1ncn2c(C)csc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL13501623 0.66 KCNJ1 (0.32) ALDH1A1
SCHEMBL9517798 0.62 ALDH1A1 (0.39) ALOX15ALDH1A1KDM4EMAPTHPGD
SCHEMBL6890415 0.62 KDM4E (0.41) ALOX15CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL5725359 0.62 APOBEC3A (0.42) GABRA1GABRG2GABRB3GABRA5CYP1A2
SCHEMBL12758183 0.62 ALDH1A1 (0.51) CYP1A2ALDH1A1KDM4EMAPTLMNA
SCHEMBL13501629 0.61 LMNA (0.34) ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL7331013 0.60 HSD17B10 (0.46) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL10856198 0.59
SCHEMBL12702668 0.59 ALDH1A1 (0.60) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL277948 0.57 PDE3B (0.45) ALOX15ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 ALOX15 2514/4885GABRA1 1946/4885GABRG2 4048/4885

“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.