SCHEMBL14358477

SCHEMBL14358477

CC(C)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.59
HSD17B3 P37058 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
APP P05067 3/20 0.50
RECQL P46063 1/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
NR4A1 P22736 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL14358480 1.00 MMP13 (0.59) MMP13HSD17B3ALDH1A1MAPTKMT2A
SCHEMBL8738834 0.90 MAPT (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL14358738 0.88 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL14358741 0.88 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL14358669 0.82 MAPT (0.60) MMP13HSD17B3ALDH1A1MAPTKMT2A
SCHEMBL14358667 0.82 MAPT (0.60) MMP13HSD17B3ALDH1A1MAPTKMT2A
SCHEMBL14359082 0.82 MAPT (0.50) MMP13HSD17B3ALDH1A1MAPTKMT2A
SCHEMBL14359085 0.82 MAPT (0.50) MMP13HSD17B3ALDH1A1MAPTKMT2A
SCHEMBL14358579 0.79 NOX1 (0.54) MMP13HSD17B3ALDH1A1MAPTKMT2A
SCHEMBL14358580 0.79 NOX1 (0.54) MMP13HSD17B3ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 EP claimed
CN-103765212-A Methods and compositions for treating cancer and autoimmune diseases JACKSON LAB 2014-04-30 CN claimed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 US claimed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 WO claimed
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease THE JACKSON LABORATORY (US) 2019-02-19 US disclosed
EP-2724156-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE JACKSON LAB (US) 2017-08-16 EP disclosed
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 EP disclosed
CN-103765212-A Methods and compositions for treating cancer and autoimmune diseases JACKSON LAB 2014-04-30 CN disclosed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 US disclosed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 WO 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-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE BAK1, SSB, MRE11 MMP13 1762/4885HSD17B3 2702/4885ALDH1A1 3148/4885
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease BAK1, SSB, MRE11 MMP13 1762/4885HSD17B3 2702/4885ALDH1A1 3148/4885

“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.