SCHEMBL4771354

SCHEMBL4771354

COc1cc(OC)cc(C2=NC(=O)c3ccccc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 4/20 0.39
METAP1 P53582 1/20 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
SCHEMBL4769027 0.87 NPC1 (0.46) ABL1ABCB1BCRALDH1A1MAPT
SCHEMBL4766311 0.81 MEN1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL4772003 0.80 PTPN1 (0.45) ABCB1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4774292 0.80 HDAC4 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL4764752 0.79 IDO1 (0.46) MAPTSMN1; SMN2TP53TSHRKMT2A
SCHEMBL4768931 0.79 CCR1 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL4763654 0.78 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL4774181 0.77 MEN1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL4773477 0.75 METAP1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL4773594 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD

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 ABL1 3641/4885ABCB1 3154/4885BCR 4196/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ABL1 2356/4885ABCB1 2043/4885BCR 3325/4885

“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.