SCHEMBL6702902

SCHEMBL6702902

N=C(NCc1cccc2ccccc12)NC(=O)NCC1CCN(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
TP53 P04637 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 3/20 0.54
MAPK1 P28482 2/20 0.54
DRD4 P21917 2/20 0.53
CXCR4 P61073 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL6695878 0.93 SIGMAR1 (0.58) DRD4CXCR4SIGMAR1HDAC3HDAC4
SCHEMBL6702176 0.90 DRD4 (0.53) MAPTTP53SMN1; SMN2HTTMAPK1
SCHEMBL6703098 0.89 KMT2A (0.50) DRD4CXCR4SIGMAR1HDAC1HDAC8
SCHEMBL6702012 0.88 DRD4 (0.52) TP53HTTDRD4CXCR4SIGMAR1
SCHEMBL6702833 0.88 KMT2A (0.51) SIGMAR1
SCHEMBL6702046 0.87 DRD4 (0.55) DRD4SIGMAR1ALDH1A1KCNH2CACNA1I
SCHEMBL6700016 0.87 DRD4 (0.55) MAPTDRD4SIGMAR1KDM4EALDH1A1
SCHEMBL6704083 0.87 EPHX2 (0.47) MAPTTP53HTTMAPK1DRD4
SCHEMBL6708092 0.87 KMT2A (0.47) MAPTTP53SMN1; SMN2SIGMAR1HDAC3
SCHEMBL6701298 0.85 MCHR1 (0.54) CXCR4SIGMAR1KDM4EALDH1A1KCNH2

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 2819/4885TP53 3537/4885SMN1; SMN2 1732/4885

“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.