SCHEMBL6898577

SCHEMBL6898577

C=CC(=N)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
ALDH1A1 P00352 6/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MGLL Q99685 2/20 0.33
PIN1 Q13526 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH2 P05091 1/20 0.33
FBP1 P09467 1/20 0.33
TGM2 P21980 1/20 0.32
HPGD P15428 4/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6897020 0.97
SCHEMBL6899581 0.75 CA2 (0.38) CA1CA2CA12CA9HSD11B1
SCHEMBL19245083 0.75 LMNA (0.43) ALDH1A1CA1CA2CA12CA9
SCHEMBL607929 0.70 ALDH1A1 (0.38) F2ALDH1A1CA1CA2CA12
SCHEMBL818530 0.70 ALDH1A1 (0.38) F2ALDH1A1CA1CA2CA12
SCHEMBL2754246 0.70 ALDH1A1 (0.38) F2ALDH1A1CA1CA2CA12
SCHEMBL13963547 0.70 F2 (0.48) F2ALDH1A1CA1CA2CA12
SCHEMBL25231611 0.68 ALDH1A1 (0.55) ALDH1A1CA2TGM2HPGDMMP1
SCHEMBL10658257 0.68 ALDH1A1 (0.55) ALDH1A1CA2TGM2HPGDMMP1
SCHEMBL20664588 0.68 ALDH1A1 (0.55) ALDH1A1CA2TGM2HPGDMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US claimed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US claimed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 EP claimed
EP-3296368-B1 ETCH-RESISTANT INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA GEVAERT (BE) 2020-11-11 EP disclosed
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US disclosed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 EP 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-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 F2 14/4885ALDH1A1 633/4885CA1 1270/4885

“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.