SCHEMBL6564598

SCHEMBL6564598

CCC(=O)c1cc(N)ccc1OCc1ccc(CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
FOLH1 Q04609 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.40
CSF1R P07333 3/20 0.39
HTR2A P28223 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL6565808 0.90 KMT2A (0.46) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6564400 0.87 PDK2 (0.47) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6566551 0.87 SMN1; SMN2 (0.49) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6564644 0.87 RXRA (0.47) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6568015 0.79 MAPT (0.48) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6568009 0.78 PTGDR2 (0.55) SMN1; SMN2MAPTCYP2C9CYP2C19MEN1
SCHEMBL22419890 0.77 ALDH1A1 (0.53) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL6566640 0.77 ALDH1A1 (0.58) SMN1; SMN2MAPTHTR2AALDH1A1KDM4E
SCHEMBL6565669 0.77 HTR2A (0.41) SMN1; SMN2MAPTCYP1A2CYP2C9NPC1
SCHEMBL6565713 0.76 KDM4A (0.39) MAPTPARP1HTR2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 SMN1; SMN2 2126/4885MAPT 4743/4885CYP1A2 265/4885

“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.