SCHEMBL7984436

SCHEMBL7984436

O=C(NCc1cccnc1)c1sc2ccccc2c1Cl

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.85
KMT2A Q03164 1/20 0.85
HPGD P15428 5/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
PKM P14618 1/20 0.79
CYP2C19 P33261 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
OGG1 O15527 1/20 0.58
NPC1 O15118 1/20 0.57
HTT P42858 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL13494012 0.88 GAA (0.68) GAAKMT2AHPGDCYP1A2CYP3A4
SCHEMBL14587857 0.85 KMT2A (0.64) GAAKMT2AHPGDCYP1A2CYP3A4
SCHEMBL13494078 0.81 GAA (0.59) GAAKMT2AHPGDCYP1A2CYP3A4
SCHEMBL23353332 0.80 MAPT (0.74) GAAKMT2AHPGDCYP1A2CYP2C19
SCHEMBL29865482 0.80 MAPT (0.74) GAAKMT2AHPGDCYP1A2CYP2C19
SCHEMBL7987880 0.80 RAB9A (0.61) GAAKMT2AHPGDCYP1A2CYP3A4
SCHEMBL15931659 0.77 CA1 (0.74) GAAKMT2AHPGDPKMMAPT
SCHEMBL19828200 0.76 SENP1 (0.61) GAAHPGDMAPTRAB9ASMN1; SMN2
SCHEMBL15629419 0.76 CYP1A2 (0.57) GAAKMT2AHPGDCYP1A2CYP3A4
SCHEMBL6477287 0.74 OGG1 (1.00) GAAKMT2AHPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024759-A2 IMMUNOMODULATORY COMPOUNDS THAT TARGET AND INHIBIT THE PY+3 BINDING SITE OF TYROSENE KINASE P56 LCK SH2 DOMAIN UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-02-28 WO disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 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 (2 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-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain LCK, PTPN6, PTPN22 GAA 4124/4885KMT2A 2476/4885HPGD 3910/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 GAA 4124/4885KMT2A 2476/4885HPGD 3910/4885

“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.