SCHEMBL6703757

SCHEMBL6703757

COc1cc(CNC(=O)NC(=N)NCc2cccc3ccccc23)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
PKM P14618 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
SMPD1 P17405 1/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6696307 0.83 MEN1 (0.62) MAPTCYP2D6CYP2C19KDM4EKMT2A
SCHEMBL6698282 0.83 MTNR1A (0.51) MAPTCYP1A2CYP3A4CYP2D6PKM
SCHEMBL6699770 0.77 KMT2A (0.51) MAPTCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL6702001 0.77 MTNR1A (0.59) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL4629469 0.77 SMN1; SMN2 (0.52) KDM4EATML3MBTL1
SCHEMBL6699071 0.77 KMT2A (0.59) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL6702167 0.76 TDP1 (0.53) MAPTCYP1A2CYP3A4CYP2D6PKM
SCHEMBL6700488 0.76 KMT2A (0.51) MAPTKDM4EKMT2AMEN1
SCHEMBL6703871 0.76 CA12 (0.52) MAPTKDM4EKMT2AMEN1
SCHEMBL6702025 0.76 KMT2A (0.51) MAPTKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HONG YUFENG (US) 2004-03-04 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C MAPT 2819/4885CYP1A2 503/4885CYP3A4 460/4885

“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.