SCHEMBL4774703

SCHEMBL4774703

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.39
RAD52 P43351 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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 SCHEMBL4772993 0.99 HPGD (0.43) HPGDALDH1A1KDM4ETP53HSD17B10
SCHEMBL6289286 0.94 KMT2A (0.41) HPGDALDH1A1KDM4ETP53HSD17B10
Hydrochloric Acid SCHEMBL4774261 0.94 KMT2A (0.41) HPGDALDH1A1KDM4ETP53HSD17B10
SCHEMBL4775726 0.91 KMT2A (0.43) HPGDALDH1A1KDM4ETP53HSD17B10
Hydrochloric Acid SCHEMBL4774246 0.90 KMT2A (0.42) HPGDALDH1A1KDM4ETP53HSD17B10
SCHEMBL6289209 0.86 RAB9A (0.43) HPGDALDH1A1KDM4ETP53HSD17B10
SCHEMBL4772631 0.85 KDM4E (0.45) HPGDALDH1A1KDM4ETP53HSD17B10
SCHEMBL4763754 0.85 SMN1; SMN2 (0.43) HPGDALDH1A1KDM4ETP53HSD17B10
Hydrochloric Acid SCHEMBL6726291 0.84 RAB9A (0.41) HPGDALDH1A1KDM4ETP53HSD17B10
Hydrochloric Acid SCHEMBL4768469 0.84 KDM4E (0.44) HPGDALDH1A1KDM4ETP53HSD17B10

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
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
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 HPGD 1216/4885ALDH1A1 2989/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HPGD 1548/4885ALDH1A1 1071/4885KDM4E 1058/4885

“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.