SCHEMBL971940

SCHEMBL971940

COc1ccccc1-c1nnc(S)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
ALDH1A1 P00352 7/20 0.66
HSD17B10 Q99714 8/20 0.59
HPGD P15428 5/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
AHR P35869 1/20 0.56
TSHR P16473 2/20 0.52
APP P05067 1/20 0.50
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL23084672 0.81 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL11335857 0.79 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL29673255 0.79 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL11025136 0.77 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL971700 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL9313369 0.74 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL968101 0.74 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL8046899 0.73 HDAC1 (0.43) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL22469017 0.73 GUSB (0.46) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL970693 0.73 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104292224-B Containing replacing 1,3,4-thiophene () diazole thioether benzothiazole amide derivatives and its preparation method and application 贵州大学 2016-07-06 CN disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-20070184383-A1 Photosensitive composition, photosensitive planographic printing plate material, and recording method of planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-08-09 US disclosed
US-20070184383-A1 Photosensitive composition, photosensitive planographic printing plate material, and recording method of planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-08-09 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 KDM4E 3077/4885ALDH1A1 2976/4885HSD17B10 1147/4885

“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.