SCHEMBL18128993

SCHEMBL18128993

Clc1nc(Cc2ccccc2)cc(Oc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NUDT1 P36639 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 2/20 0.41
LOXL2 Q9Y4K0 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL17608918 0.82 PDE2A (0.49) POLBMAPK1ALDH1A1HTTBRD4
SCHEMBL18129000 0.79 SMN1; SMN2 (0.43) CYP1A2CYP2C9CYP2C19MAPTNPSR1
SCHEMBL18128983 0.79 SRD5A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTNPSR1
SCHEMBL18951960 0.78 MEN1 (0.50) CYP1A2CYP2C9CYP2C19MAPTNPSR1
SCHEMBL18128984 0.77 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL18951928 0.76 BCAT2 (0.50) CYP1A2CYP2C9CYP2C19MAPTCYP3A4
SCHEMBL3404366 0.75 ALDH1A1 (0.53) CYP2C19POLBCYP3A4TDP1ALDH1A1
SCHEMBL446237 0.75 MAPT (0.63) CYP1A2CYP2C9CYP2C19MAPTNPSR1
SCHEMBL12582151 0.74 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19MAPTNPSR1
SCHEMBL24309569 0.73 TDP1 (0.70) CYP1A2CYP2C9CYP2C19MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796677-B2 Amide compound and pharmaceutical comprising same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-24 US disclosed
EP-3081556-A1 AMIDE COMPOUND AND PHARMACEUTICAL COMPRISING SAME Japan Science and Technology Agency (JP) 2016-10-19 EP disclosed
US-20160297764-A1 AMIDE COMPOUND AND PHARMACEUTICAL COMPRISING SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-10-13 US 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-20160297764-A1 AMIDE COMPOUND AND PHARMACEUTICAL COMPRISING SAME APP, BACE1, APBA1 CYP1A2 1408/4885CYP2C9 940/4885CYP2C19 1578/4885

“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.