SCHEMBL4769129

SCHEMBL4769129

C=C(c1ccc(OC)cc1)c1cc2ccccc2c(N2CCN(CC)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
KDR P35968 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.42
SIRT1 Q96EB6 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
GBA1 P04062 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
CHRM1 P11229 1/20 0.40
GAA P10253 1/20 0.40

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
Oxalic Acid SCHEMBL4763900 0.95 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EKDRMAPT
SCHEMBL4771995 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EKDRMAPT
Oxalic Acid SCHEMBL4768201 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EKDRMAPT
SCHEMBL14102875 0.82 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EKDRMAPT
SCHEMBL4763566 0.79 HRH3 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL4770729 0.78 HRH3 (0.47) ALDH1A1SMN1; SMN2MAPTLMNASIRT1
SCHEMBL4775573 0.78 PRMT5 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL4772543 0.77 MEN1 (0.46) ALDH1A1SMN1; SMN2KDM4EKDRMAPT
Hydrochloric Acid SCHEMBL4769084 0.77 PRMT5 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL4763521 0.77 SMPD1 (0.43) ALDH1A1SMN1; SMN2KDM4ESIRT1KMT2A

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 ALDH1A1 2989/4885SMN1; SMN2 27/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885SMN1; SMN2 37/4885KDM4E 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.