SCHEMBL7225276

SCHEMBL7225276

CN(C)CCCOc1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.67
RXRB P28702 2/20 0.67
BCL2 P10415 8/20 0.62
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LSS P48449 1/20 0.58
ROCK2 O75116 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ROCK1 Q13464 1/20 0.55
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
ESR1 P03372 2/20 0.54
CHEK2 O96017 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL1365365 0.93 RXRA (0.68) RXRARXRBBCL2KDM4EALDH1A1
SCHEMBL10679310 0.86 LSS (0.73) KDM4EALDH1A1SMN1; SMN2LSSMAPT
SCHEMBL6569708 0.83 RXRA (0.78) RXRARXRBBCL2ROCK2CYP3A4
Hydrochloric Acid SCHEMBL8705220 0.83 ESR1 (0.66) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL10611011 0.83 RARB (0.74) RXRARXRBKMT2A
SCHEMBL2567729 0.82 ROCK2 (0.59) BCL2KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL10673343 0.82 LSS (0.66) KDM4EALDH1A1SMN1; SMN2LSSMAPT
SCHEMBL4966805 0.81 TP53 (0.63) KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL6928025 0.81 MAOB (0.66) KDM4EALDH1A1SMN1; SMN2LSSROCK2
SCHEMBL10671437 0.80 LSS (0.64) KDM4EALDH1A1SMN1; SMN2LSSMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US claimed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US claimed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO claimed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 RXRA 2850/4885RXRB 2893/4885BCL2 4286/4885

“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.