SCHEMBL6703863

SCHEMBL6703863

CNC(=O)NC(=N)NCc1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
ROCK2 O75116 1/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GLS O94925 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CHIT1 Q13231 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL2380020 0.78 ALDH1A1 (0.39) HIF1AROCK2PTPN1ALDH1A1GAA
SCHEMBL5735467 0.76 HIF1A (0.40) HIF1AROCK2PTPN1ALDH1A1HDAC3
SCHEMBL28872227 0.75 HIF1A (0.49) HIF1AROCK2PTPN1ALDH1A1HDAC3
SCHEMBL5723907 0.75 MTNR1A (0.56) HIF1AROCK2PTPN1ALDH1A1MTNR1A
SCHEMBL6704194 0.74 HTR7 (0.58) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL2379469 0.74 HIF1A (0.39) HIF1AROCK2PTPN1ALDH1A1HDAC3
SCHEMBL4658256 0.73 HIF1A (0.43) HIF1AROCK2PTPN1ALDH1A1HDAC3
SCHEMBL28872280 0.73 HIF1A (0.54) HIF1AROCK2PTPN1ALDH1A1HDAC3
SCHEMBL2781208 0.71 ROCK2 (0.41) HIF1AROCK2ALDH1A1GAAMEN1
SCHEMBL6702001 0.71 MTNR1A (0.59) ALDH1A1MEN1KMT2ACA2MTNR1A

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-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
EP-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO 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 HIF1A 1020/4885ROCK2 4482/4885PTPN1 2155/4885

“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.