SCHEMBL6216925

SCHEMBL6216925

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccc(OCc3ccccc3)cc1)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
SPHK2 Q9NRA0 3/20 0.48
CHRM4 P08173 6/20 0.46
F10 P00742 2/20 0.45
SPHK1 Q9NYA1 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL2639752 0.89 F10 (0.47) ITGB3ITGA2BCHRM4F10HTR1A
SCHEMBL7420409 0.89 HTR1A (0.53) ITGB3ITGA2BF10HTR1AHTR1D
SCHEMBL2640158 0.86 F10 (0.52) ITGB3ITGA2BF10HTR1AHTR1D
SCHEMBL6212619 0.84 CHRM4 (0.46) SPHK2CHRM4SPHK1HDAC3HDAC4
SCHEMBL2639963 0.80 HTR1A (0.44) F10HTR1AHTR1DHTR2C
SCHEMBL6212650 0.80 F10 (0.51) ITGB3ITGA2BF10HTR1AHTR1D
SCHEMBL2640150 0.80 HTR1A (0.53) ITGB3ITGA2BF10HTR1AHTR1D
SCHEMBL2640127 0.79 HTR1A (0.48) ITGB3ITGA2BF10HTR1AHTR1D
SCHEMBL2640134 0.79 HTR1A (0.44) HTR1AHTR1DHTR2CHDAC3HDAC1
SCHEMBL6210723 0.78 HTR1A (0.46) ITGB3ITGA2BF10HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US claimed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US claimed
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 ITGB3 1686/4885ITGA2B 1104/4885SPHK2 3928/4885

“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.