SCHEMBL971139

SCHEMBL971139

COc1cc(-c2nnc(Cl)s2)c([N+](=O)[O-])cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GUSB P08236 2/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.35
ILK Q13418 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKDC P78527 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL12947930 0.75 POLB (0.57) HPGDSMN1; SMN2GUSBPOLBLMNA
SCHEMBL970145 0.74 POLB (0.44) HPGDSMN1; SMN2GUSBPOLBLMNA
SCHEMBL2475210 0.73 LMNA (0.47) HPGDLMNAALDH1A1MAPTTDP1
SCHEMBL25427390 0.73 ALDH1A1 (0.53) POLBLMNAALDH1A1MAPTTDP1
SCHEMBL12920062 0.72 GAA (0.43) HPGDSMN1; SMN2NPC1RAB9AGUSB
SCHEMBL968157 0.72 ALDH1A1 (0.60) HPGDSMN1; SMN2GUSBPOLBLMNA
SCHEMBL4279356 0.71 ALDH1A1 (0.48) LMNAALDH1A1MAPTTDP1KDM4E
SCHEMBL30954094 0.71 ALDH1A1 (0.48) LMNAALDH1A1MAPTTDP1KDM4E
SCHEMBL6371735 0.71 ALDH1A1 (0.48) LMNAALDH1A1MAPTTDP1KDM4E
SCHEMBL30230904 0.71 ALDH1A1 (0.48) LMNAALDH1A1MAPTTDP1KDM4E

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-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

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 HPGD 2051/4885SMN1; SMN2 1856/4885NPC1 50/4885

“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.