SCHEMBL7559004

SCHEMBL7559004

CC(=NNC(=O)c1[nH]c2ccccc2c1C(C)C)c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL7559001 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7561090 0.86 MAPT (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7558851 0.86 NPC1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7529205 0.86 NPC1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7561095 0.86 MAPT (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7533783 0.83 TUBB4A (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7673163 0.83 TUBB4A (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7561358 0.82 MAPT (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7561364 0.82 MAPT (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7561970 0.81 TUBB4A (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US claimed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 WO claimed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 ALDH1A1 98/4885SMN1; SMN2 4745/4885NPC1 3749/4885

“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.