SCHEMBL7540516

SCHEMBL7540516

S=Cc1nc(Cl)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CTRC Q99895 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALOX5 P09917 1/20 0.35
MCL1 Q07820 1/20 0.35
METAP2 P50579 1/20 0.34

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
SCHEMBL7544926 0.79 HPGD (0.51) KDM4EHSP90AA1NPC1RAB9AALDH1A1
SCHEMBL1316693 0.76 PDE10A (0.31)
SCHEMBL3564907 0.75 ALDH1A1 (0.54) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL3951575 0.72 HSP90AB1 (0.72) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL6504250 0.69 CTRC (0.58) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL38654829 0.69 CTRC (0.58) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL7540519 0.68 KDM4E (0.40) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL10051515 0.68 MEN1 (0.60) KDM4EHSP90AA1HSP90AB1CTRCALDH1A1
SCHEMBL28817004 0.68 NPC1 (0.58) KDM4ENPC1RAB9ACTRCALDH1A1
SCHEMBL12306220 0.66 NPC1 (0.56) KDM4ENPC1RAB9ACTRCALDH1A1

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-6440984-B1 PROTECTION FOR GROWING AND HARVESTED CROPS; CONTROLLING TOBACCO BUDWORMS AND SOUTHERN ARMYWORMS; PESTICIDES; INSECTICIDES; MITICIDES; ANTHELMINTICS BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-20020045634-A1 Use of aryl-substituted pyrimidines as insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY 2002-04-18 US disclosed
US-6306866-B1 2-ALKOXY SUBSTITUTED PYRIMIDINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-10-23 US disclosed
US-6153619-A Aryl-substituted pyrimidines as insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 2000-11-28 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-20020045634-A1 Use of aryl-substituted pyrimidines as insecticidal and acaricidal agents YBX1, YBX3, CYP1B1 KDM4E 1311/4885HSP90AA1 1864/4885HSP90AB1 1408/4885

“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.