SCHEMBL14519367

SCHEMBL14519367

O=C(c1ccccc1)C(Cl)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PLOD2 O00469 1/20 0.47
PLOD3 O60568 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
PLOD1 Q02809 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL458300 0.86 TDP1 (0.61) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL11820789 0.81 ALDH1A1 (0.55) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11168692 0.80 ALDH1A1 (0.53) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL10946544 0.79 GAA (0.54) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL11750676 0.79 CES2 (0.50) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL2524805 0.79 LMNA (0.74) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL8924416 0.79 L3MBTL1 (0.77) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL8101551 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL11750814 0.78 KMT2A (0.50) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL11753603 0.78 TDP1 (0.47) MEN1KMT2AALDH1A1CYP3A4HPGD

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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MEN1 3032/4885KMT2A 1449/4885ALDH1A1 1079/4885

“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.