SCHEMBL18100113

SCHEMBL18100113

C#CC(C)N(N)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL20043130 0.83 LOXL2 (0.49) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL16851809 0.76 ALOX15 (0.44) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL16851800 0.76 LOXL2 (0.40) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL10810872 0.76 LOXL2 (0.43) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL10603259 0.74 RAB9A (0.55) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL30442434 0.74 RAB9A (0.55) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL15722690 0.73 NPC1 (0.50) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL16705643 0.73 NPC1 (0.48) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL16705585 0.73 L3MBTL1 (0.52) LOXL2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL16705673 0.73 UBE2T (0.44) LOXL2RAB9ANPC1SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S LOXL2 735/4885RAB9A 3942/4885NPC1 3672/4885

“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.