SCHEMBL4931085

SCHEMBL4931085

CCOc1ccc(-n2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 5/20 0.43
DCTPP1 Q9H773 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MCHR1 Q99705 1/20 0.40
TP53 P04637 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL4922249 0.89 CYP2D6 (0.41) CACNA2D1NPC1DCTPP1LMNASMN1; SMN2
SCHEMBL4924682 0.89 CACNA2D1 (0.46) CACNA2D1MAPTDCTPP1ALDH1A1LMNA
SCHEMBL4922183 0.85 CACNA2D1 (0.47) CACNA2D1KMT2AMEN1NPC1PKM
SCHEMBL4925569 0.85 MCHR1 (0.48) CACNA2D1KMT2AMAPTHPGDALDH1A1
SCHEMBL4933492 0.84 DCTPP1 (0.53) KMT2ANPC1MAPTDCTPP1HPGD
SCHEMBL4927330 0.83 DCTPP1 (0.36) KMT2AMEN1MAPTDCTPP1ALDH1A1
SCHEMBL4925131 0.78 NPC1 (0.52) CACNA2D1KMT2AMEN1NPC1MAPT
SCHEMBL4931609 0.78 LMNA (0.52) CACNA2D1MAPTALDH1A1TP53LMNA
SCHEMBL4929926 0.78 L3MBTL1 (0.44) MAPTDCTPP1MCHR1
SCHEMBL4931130 0.76 NPC1 (0.50) CACNA2D1KMT2AMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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 (1 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 CACNA2D1 3298/4885KMT2A 1963/4885MEN1 4097/4885

“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.