SCHEMBL21709511

SCHEMBL21709511

Clc1nc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)c2ccccc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TOP1 P11387 1/20 0.31
TOP2A P11388 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
EGFR P00533 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
PDGFRB P09619 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL19119757 0.86 HRH4 (0.37) EGLN1TNKSTNKS2MAPT
SCHEMBL19119804 0.86 ADK (0.34) EGLN1TNKSTNKS2
SCHEMBL20656135 0.81 LMNA (0.30) LMNASMN1; SMN2
SCHEMBL20656084 0.81
SCHEMBL17246604 0.81 KAT2A (0.42) KDM4ETP53NPC1LMNAHPGD
SCHEMBL16582335 0.81 HSD17B10 (0.36) KDM4ETP53NPC1LMNAHPGD
SCHEMBL20655773 0.80 ADK (0.31)
SCHEMBL19120058 0.80 MAPT (0.33) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL19985993 0.80 ACP1 (0.41) KDM4ELMNAHSD17B10ALDH1A1MAPT
SCHEMBL22199870 0.79 HSD17B10 (0.35) KDM4ETP53NPC1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT EGLN1 2622/4885KDM4E 1144/4885TP53 4100/4885

“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.