SCHEMBL2640129

SCHEMBL2640129

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccc(-n3cccn3)nc1)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.49
KLKB1 P03952 3/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP2D6 P10635 1/20 0.40
BRD4 O60885 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
SCHEMBL2639343 0.88 HTR1A (0.44) CXCR4KLKB1KDM4EALDH1A1LMNA
SCHEMBL2639471 0.82 ALDH1A1 (0.47) KLKB1ALDH1A1LMNAHTR1AHTR1D
SCHEMBL7420409 0.79 HTR1A (0.53) KLKB1HTR1AHTR1DHTR2CHPGD
SCHEMBL2640134 0.79 HTR1A (0.44) CXCR4HTR1AHTR1DHTR2C
SCHEMBL2640127 0.77 HTR1A (0.48) KLKB1HTR1AHTR1DHTR2CCYP2D6
SCHEMBL2640217 0.77 F10 (0.56) KLKB1HTR1AHTR1DHTR2C
SCHEMBL6218479 0.77 HTR1A (0.44) HTR1AHTR1DHTR2C
SCHEMBL2640158 0.77 F10 (0.52) KLKB1HTR1AHTR1DHTR2CHPGD
SCHEMBL2639340 0.76 HTR1A (0.47) KDM4EHTR1AHTR1DHTR2CKMT2A
SCHEMBL2639307 0.76 HTR1A (0.45) KLKB1HTR1AHTR1DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829451-B2 2011-12-07 JP 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-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP claimed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO 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
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 CXCR4 3074/4885KLKB1 1260/4885KDM4E 880/4885

“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.