SCHEMBL18118641

SCHEMBL18118641

Cc1ccc(NC(=O)/C(C#N)=C(\O)C2CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
G6PD P11413 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9017561 0.92 DHODH (0.61) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6655226 0.86 DHODH (0.70) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27242987 0.86 DHODH (0.74) DHODHSMN1; SMN2NPC1RAB9AHTT
SCHEMBL5049041 0.86 DHODH (0.70) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16741993 0.86 DHODH (0.70) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25813258 0.86 DHODH (0.74) DHODHSMN1; SMN2NPC1RAB9AHTT
SCHEMBL15196662 0.85 DHODH (0.62) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8678233 0.84 DHODH (0.68) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8678230 0.84 DHODH (0.68) DHODHSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8614000 0.84 DHODH (0.68) DHODHSMN1; SMN2NPC1RAB9AMAPT

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-20230226007-A1 NANOPARTICULATE COMPOSITION ALGIAX PHARMACEUTICALS GMBH (DE) 2023-07-20 US disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 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-20230226007-A1 NANOPARTICULATE COMPOSITION CRYAA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SFN DHODH 4303/4885SMN1; SMN2 956/4885NPC1 1223/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885SMN1; SMN2 25/4885NPC1 595/4885

“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.