SCHEMBL6289286

SCHEMBL6289286

CCCNC(=O)Cc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.41
WNT3A P56704 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL4774261 0.99 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL4774703 0.94 HPGD (0.44) KMT2AMEN1ALDH1A1KDM4ETP53
Hydrochloric Acid SCHEMBL4772993 0.94 HPGD (0.43) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL4775726 0.92 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ETP53
Hydrochloric Acid SCHEMBL4774246 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL6289209 0.88 RAB9A (0.43) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL4770554 0.87 KDM4E (0.46) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL4772631 0.87 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL4763754 0.86 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1KDM4ETP53
Hydrochloric Acid SCHEMBL6726291 0.86 RAB9A (0.41) KMT2AMEN1ALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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 KMT2A 1240/4885MEN1 786/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885MEN1 1171/4885ALDH1A1 1071/4885

“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.