SCHEMBL967548

SCHEMBL967548

[c]1nnc(-c2nccs2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 4/20 0.32
ADRB2 P07550 1/20 0.32
NPC1 O15118 3/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
PKM P14618 2/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL2936247 0.71 PDPK1 (0.39) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL102331 0.68 PDPK1 (0.59) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL570272 0.67 NOTUM (0.39) PDPK1LOXL2CYP2A6HSP90AA1TSHR
SCHEMBL28154527 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL30632310 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL31556353 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL30534095 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL1559450 0.65 PDPK1 (0.42) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL969767 0.64 PDPK1 (0.41) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL14690672 0.63 PDPK1 (0.39) PDPK1LOXL2CYP2A6ADORA2AADORA1

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 17 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 claimed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US claimed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP claimed
EP-3082802-A2 TRYPTOPHAN-2,3-DIOXYGENASE (TDO) AND/OR INDOLAMINE-2,3-DIOXYGENASE (IDO) INHIBITORS AND THEIR USE Iomet Pharma Ltd. (GB) 2016-10-26 EP disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO 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-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 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 PDPK1 4730/4885LOXL2 3313/4885CYP2A6 486/4885

“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.