SCHEMBL969140

SCHEMBL969140

Sc1nnc(-c2cscn2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
TDO2 P48775 2/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
FKBP1A P62942 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL7964249 0.69 TSHR (0.50) IDO1TDO2TSHRALDH1A1KDM4E
SCHEMBL969465 0.69 KMT2A (0.38) ALDH1A1NPC1RAB9AMAPTCYP1A2
SCHEMBL31301220 0.67 IDO1 (0.35) IDO1TDO2TSHRALDH1A1KDM4E
SCHEMBL971007 0.67 KDM4E (0.74) TSHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL967794 0.67 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL14557099 0.64 KDM4E (0.43) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL2405897 0.64 IDO1 (0.33) IDO1TDO2TSHRALDH1A1KDM4E
SCHEMBL8712171 0.63 FBP1 (0.33) TSHRCYP1A2
SCHEMBL969939 0.63 KDM4E (0.59) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL1520398 0.63 HSP90AA1 (0.44) IDO1TSHRALDH1A1RAB9ACYP1A2

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 IDO1 2920/4885TDO2 2943/4885TSHR 1003/4885

“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.