SCHEMBL19501656

SCHEMBL19501656

CC/C=C(\C)C(=O)Nc1ccccc1NC(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.53
MEN1 O00255 7/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
TAAR1 Q96RJ0 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
EPHX1 P07099 1/20 0.49
TSHR P16473 1/20 0.49
EPHX2 P34913 1/20 0.49
CDK9 P50750 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
NOX1 Q9Y5S8 1/20 0.47
GAA P10253 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL19501286 0.90 NPC1 (0.57) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL1160496 0.86 NAPRT (0.52) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL1160495 0.86 NAPRT (0.52) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL19501548 0.86 KMT2A (0.55) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL19501824 0.85 KMT2A (0.58) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL21810514 0.78 SMN1; SMN2 (0.81) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL19501823 0.77 KMT2A (0.57) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL19500916 0.76 KMT2A (0.75) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL30557305 0.76 KMT2A (0.75) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL19501012 0.75 KMT2A (0.69) KMT2AMEN1NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343438-B2 Heat-sensitive recording material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-07-09 US disclosed
US-20170297355-A1 Heat-Sensitive Recording Material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-19 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 (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-20170297355-A1 Heat-Sensitive Recording Material SCN1A, SCN3A, KCNN3 KMT2A 1505/4885MEN1 1050/4885NPC1 3839/4885
US-10343438-B2 Heat-sensitive recording material SCN1A, SCN3A, KCNN3 KMT2A 1505/4885MEN1 1050/4885NPC1 3839/4885

“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.