SCHEMBL968101

SCHEMBL968101

Fc1ccccc1-c1nnc(S)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GUSB P08236 1/20 0.44
DCTPP1 Q9H773 3/20 0.43
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MPL P40238 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL8043690 0.80 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL8043829 0.79 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL971700 0.78 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22469017 0.78 GUSB (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2GUSB
SCHEMBL970693 0.78 ALDH1A1 (0.62) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL11025136 0.78 ALDH1A1 (0.50) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL8046899 0.78 HDAC1 (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8051369 0.78 HSD11B1 (0.49) KDM4EALDH1A1NOTUMHPGD
SCHEMBL27157299 0.78 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9ARXFP1
SCHEMBL9574049 0.76 ALDH1A1 (0.61) KDM4EALDH1A1NPC1RAB9ARXFP1

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-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-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 2976/4885NPC1 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.