SCHEMBL19500970

SCHEMBL19500970

Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.80
RAB9A P51151 6/20 0.80
MAPT P10636 4/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
SIRT1 Q96EB6 2/20 0.77
TDP1 Q9NUW8 2/20 0.66
KDM4E B2RXH2 2/20 0.66
POLB P06746 2/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
PTPN1 P18031 2/20 0.64
TAAR1 Q96RJ0 1/20 0.64
NAMPT P43490 1/20 0.63
HPSE Q9Y251 1/20 0.62
CACNA1B Q00975 1/20 0.62
APBA1 Q02410 1/20 0.62
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61

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
SCHEMBL178425 0.93 RAB9A (0.85) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL19491372 0.92 SIRT1 (0.79) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL12010921 0.91 SIRT1 (0.92) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL12113118 0.91 SIRT1 (0.92) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL13211986 0.90 NPC1 (0.80) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL16589432 0.90 PTPN1 (0.80) NPC1RAB9AMAPTSMN1; SMN2TDP1
SCHEMBL82305 0.89 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL366747 0.89 SMN1; SMN2 (0.74) NPC1RAB9AMAPTSMN1; SMN2SIRT1
SCHEMBL19491368 0.89 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2SIRT1
Iodide SCHEMBL30758618 0.87 RAB9A (0.96) NPC1RAB9AMAPTSMN1; SMN2SIRT1

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 NPC1 3839/4885RAB9A 1511/4885MAPT 796/4885
US-10343438-B2 Heat-sensitive recording material SCN1A, SCN3A, KCNN3 NPC1 3839/4885RAB9A 1511/4885MAPT 796/4885

“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.