SCHEMBL4772196

SCHEMBL4772196

C=C(C)c1cccc(N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.65
PLOD2 O00469 2/20 0.52
PLOD3 O60568 2/20 0.52
PLOD1 Q02809 2/20 0.52
LMNA P02545 1/20 0.50
PRKDC P78527 2/20 0.47
AGXT P21549 1/20 0.47
KDM1A O60341 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
AKR1C3 P42330 1/20 0.44

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
SCHEMBL610235 0.88 ALDH1A1 (0.51) KMOPLOD2PLOD3PLOD1LMNA
SCHEMBL611101 0.85 ALDH1A1 (0.62) KMOPLOD2PLOD3PLOD1LMNA
SCHEMBL13724478 0.84 KMO (0.74) KMOPLOD2PLOD3PLOD1LMNA
SCHEMBL609036 0.83 ALDH1A1 (0.60) KMOLMNAAGXTALDH1A1KDM4E
SCHEMBL610163 0.83 ALDH1A1 (0.60) KMOLMNAAGXTALDH1A1KDM4E
SCHEMBL608471 0.83 KMO (0.68) KMOPLOD2PLOD3PLOD1LMNA
SCHEMBL4770473 0.81 ALDH1A1 (0.58) LMNAPRKDCALDH1A1KDM4EMEN1
SCHEMBL15579368 0.81 ADRB1 (0.58) ALDH1A1MAPTHTTCYP1A2
SCHEMBL671894 0.80 KMO (0.64) KMOPLOD2PLOD3PLOD1LMNA
SCHEMBL65857 0.79 KMO (1.00) KMOPLOD2PLOD3PLOD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KMO 1041/4885PLOD2 3825/4885PLOD3 4328/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMO 634/4885PLOD2 3311/4885PLOD3 3834/4885

“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.