SCHEMBL5201406

SCHEMBL5201406

Cc1cccc2nc(-c3cccc4ccccc34)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
AR P10275 1/20 0.47
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.42
KDR P35968 1/20 0.42
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 3/20 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
SCHEMBL13405981 0.89 NPC1 (0.69) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14090370 0.84 F2 (0.50) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29539959 0.81 GUSB (0.57) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13405982 0.81 GAA (0.60) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13405980 0.81 MGAM (0.60) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13405979 0.81 GAA (0.60) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14115830 0.81 NPC1 (0.55) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL12145568 0.81 ALDH1A1 (0.55) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14091304 0.80 SMN1; SMN2 (0.54) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14091252 0.79 NPC1 (0.53) HPGDALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210336-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US HEALTH (US) 2007-04-25 EP disclosed
US-20050173678-A1 Surface treatment agents for metal films of printed circuit boards TAMURA KAKEN CORPORATION (JP) 2005-08-11 US disclosed
US-6894068-B2 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-17 US disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP HPGD 1478/4885ALDH1A1 435/4885RAB9A 4475/4885

“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.