SCHEMBL16851809

SCHEMBL16851809

C#CN(N)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TSHR P16473 1/20 0.44
IDO1 P14902 1/20 0.43
UBE2T Q9NPD8 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADRA2A P08913 1/20 0.42
FBP1 P09467 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL18359699 0.83 ALOX15 (0.44) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21233494 0.80 RAB9A (0.46) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15722690 0.80 NPC1 (0.50) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16705673 0.79 UBE2T (0.44) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24555344 0.77 NPC1 (0.47) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30442434 0.77 RAB9A (0.55) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10603259 0.77 RAB9A (0.55) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16851761 0.77 NPC1 (0.51) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18100113 0.76 LOXL2 (0.43) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16705596 0.76 UBE2T (0.41) ALOX15NPC1RAB9ASMN1; SMN2LMNA

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-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 US disclosed
US-9586917-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2017-03-07 US disclosed
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2016-09-29 US disclosed
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2015-06-25 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 (3 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-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B ALOX15 2513/4885NPC1 3990/4885RAB9A 2949/4885
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S ALOX15 146/4885NPC1 3672/4885RAB9A 3942/4885
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S ALOX15 146/4885NPC1 3672/4885RAB9A 3942/4885

“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.