SCHEMBL4774037

SCHEMBL4774037

CCCCS(=O)(=O)Nc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.41
BRD4 O60885 2/20 0.40
KIT P10721 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE3A Q14432 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
KMT2A Q03164 2/20 0.39

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 SCHEMBL4775760 0.99 SGK1 (0.40) SGK1BRD4KITHRH3PDE5A
SCHEMBL4773267 0.94 ROCK2 (0.41) BRD4KITHPGDALDH1A1THRB
Hydrochloric Acid SCHEMBL4763419 0.93 ROCK2 (0.41) BRD4HPGDALDH1A1THRBSMN1; SMN2
SCHEMBL4774271 0.91 ALDH1A1 (0.47) KITHPGDALDH1A1THRBSMN1; SMN2
Hydrochloric Acid SCHEMBL4771060 0.90 ALDH1A1 (0.46) KITHPGDALDH1A1THRBSMN1; SMN2
SCHEMBL14102700 0.84 TEAD4 (0.40) KITHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL4773670 0.81 GBA1 (0.44) HPGDSMN1; SMN2LMNAMAPTROCK2
SCHEMBL4769560 0.81 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4773842 0.81 GBA1 (0.43) SMN1; SMN2LMNAMAPTROCK2ROCK1
SCHEMBL4763833 0.81 SMN1; SMN2 (0.43) HPGDALDH1A1SMN1; SMN2LMNAMAPT

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 SGK1 2918/4885BRD4 20/4885KIT 385/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SGK1 2438/4885BRD4 124/4885KIT 953/4885

“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.