SCHEMBL2397166

SCHEMBL2397166

O=C1c2ccccc2C(=O)c2c(CC3CCCCN3C(=O)O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
DPP4 P27487 1/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL17092974 0.79 SCD5 (0.45) ALDH1A1DPP4SMN1; SMN2NPC1RAB9A
SCHEMBL4629395 0.75 HSD11B1 (0.61) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL4964339 0.75 HSD11B1 (0.61) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL3540701 0.74 ALDH1A1 (0.46) ALDH1A1DPP4NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL29238125 0.74 HSD11B1 (0.60) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL28618485 0.73 KMT2A (0.50) ALDH1A1L3MBTL1MAPK1RAB9AMEN1
SCHEMBL23459127 0.70 SCD5 (0.57) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL908981 0.70 SCD5 (0.57) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL4796845 0.70 HCRTR2 (0.42) DPP4HCRTR1HCRTR2NPC1RAB9A
SCHEMBL7739261 0.69 MAPT (0.39) ALDH1A1L3MBTL1MAPTEGFRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
EP-2368875-B1 PHOTOBASE GENERATOR WAKO PURE CHEM IND LTD (JP) 2014-09-03 EP disclosed
US-20110233048-A1 PHOTOBASE GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-29 US disclosed
EP-2368875-A1 PHOTOBASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2011-09-28 EP 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-20110233048-A1 PHOTOBASE GENERATOR CYBA, CRY1, GNB1 ALDH1A1 503/4885L3MBTL1 1903/4885MAPT 3358/4885

“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.