SCHEMBL972899

SCHEMBL972899

Sc1nnc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.60
GAA P10253 5/20 0.60
SI P14410 5/20 0.60
MGAM2 Q2M2H8 5/20 0.60
KDM4E B2RXH2 3/20 0.60
NOTUM Q6P988 2/20 0.60
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL14557099 0.89 KDM4E (0.43) MGAMGAASIMGAM2KDM4E
SCHEMBL8707903 0.80 KDM4E (0.67) MGAMGAASIMGAM2KDM4E
SCHEMBL9360268 0.79 GAA (0.60) MGAMGAASIMGAM2KDM4E
SCHEMBL28353374 0.79 ALDH1A1 (0.48) MGAMGAASIMGAM2KDM4E
SCHEMBL8047389 0.79 CA1 (0.49) MGAMGAASIMGAM2KDM4E
SCHEMBL8050989 0.79 ALDH1A1 (0.60) GAAKDM4ENOTUMHDAC1HDAC2
SCHEMBL8044729 0.79 SMN1; SMN2 (0.43) MGAMGAASIMGAM2KDM4E
SCHEMBL8042809 0.79 ALDH1A1 (0.64) MGAMGAASIMGAM2KDM4E
SCHEMBL969040 0.78 ALDH1A1 (0.52) MGAMGAASIMGAM2KDM4E
SCHEMBL8042639 0.77 PIK3CD (0.43) MGAMGAASIMGAM2KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016108249-A1 1,2,4-TRIAZOLE, 1,3,4-OXADIAZOLE, AND 1,3,4-THIADIAZOLE DERIVATIVES AND THEIR ANTIMYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
EP-0217747-B1 NEMATOCIDAL AGENTS CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
EP-0228447-A4 PESTICIDAL POLYHALOALKENE DERIVATIVES 1990-12-27 EP disclosed
US-4952580-A NEMATOCIDES, ANTHELMINTICS FMC CORPORATION (US) 1990-08-28 US disclosed
EP-0342150-A1 Substituted azole ethers, their preparation and use as pesticides SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-15 EP disclosed
US-4694014-A 1,3,4-THIADIAZOLES CIBA-GEIGY CORPORATION (US) 1987-09-15 US disclosed
EP-0228447-A1 PESTICIDAL POLYHALOALKENE DERIVATIVES FMC Corporation (US) 1987-07-15 EP disclosed
EP-0217747-A2 Nematocidal agents CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed
WO-1986007590-A1 PESTICIDAL POLYHALOALKENE DERIVATIVES FMC CORPORATION (US) 1986-12-31 WO 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 MGAM 1179/4885GAA 3927/4885SI 3173/4885

“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.