SCHEMBL969364

SCHEMBL969364

Sc1nnc(-c2ccc3ccccc3c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
CYP1A2 P05177 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
GSTP1 P09211 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL7233066 0.79 MGAM (0.58) PTPN11ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL28502703 0.79 PTPN11 (0.50) PTPN11CYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL14557099 0.78 KDM4E (0.43) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL9341550 0.77 PTPN11 (0.49) PTPN11CYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL28353374 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL968255 0.77 PDGFRB (0.49) CYP1A2ALDH1A1NPC1MAPTRAB9A
SCHEMBL969040 0.77 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL713687 0.76 PTPN11 (0.45) PTPN11CYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL14491141 0.75 PTPN11 (0.47) PTPN11CYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL8157379 0.75 PIM1 (0.53) PTPN11CYP1A2ALDH1A1CYP2C9HPGD

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 PTPN11 2228/4885CYP1A2 2327/4885ALDH1A1 2976/4885

“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.