SCHEMBL173105

SCHEMBL173105

C=C(C)C#Cc1cc(N)c(C(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
MAPT P10636 6/20 0.44
NPC1 O15118 3/20 0.44
CASP3 P42574 2/20 0.44
RAB9A P51151 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
IKBKB O14920 1/20 0.44
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL101448 0.78 KDM4E (0.45) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL13992661 0.77 KDM4E (0.49) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL4253150 0.76 IKBKB (0.47) KDM4EMAPTNPC1CASP3RAB9A
Hydrochloric Acid SCHEMBL4775305 0.74 IKBKB (0.45) KDM4EMAPTNPC1CASP3RAB9A
Hydrochloric Acid SCHEMBL4775311 0.74 IKBKB (0.45) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL4775318 0.72 IKBKB (0.43) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL3239031 0.70 KDM4E (0.54) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL166726 0.70 MAPT (0.54) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL24523710 0.68 KDM4E (0.53) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL318526 0.68 KDM4E (0.53) KDM4EMAPTNPC1CASP3RAB9A

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-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 US disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 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-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 KDM4E 1474/4885MAPT 1383/4885NPC1 479/4885

“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.