SCHEMBL6212650

SCHEMBL6212650

CC(C)(C)c1ccc(C(=O)NCCC2COc3ccc(C(=N)N)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.51
PRSS1 P07477 2/20 0.51
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
F2 P00734 1/20 0.45
KLKB1 P03952 3/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESRRG P62508 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2639545 0.91 HTR1A (0.50) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL7420409 0.89 HTR1A (0.53) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL2640158 0.86 F10 (0.52) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2640085 0.85 HTR1A (0.47) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2640127 0.84 HTR1A (0.48) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL6242842 0.84 HTR1A (0.40) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL6210723 0.84 HTR1A (0.46) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2639752 0.83 F10 (0.47) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2640170 0.83 HTR1A (0.47) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2640150 0.83 HTR1A (0.53) F10PRSS1HTR1AHTR1DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP claimed
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 F10 4/4885PRSS1 248/4885HTR1A 1462/4885

“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.