SCHEMBL7797441

SCHEMBL7797441

Nc1cccc(CCNC(=O)CCC(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ITGA2B P08514 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
NOS2 P35228 1/20 0.40
SHMT2 P34897 1/20 0.40
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7799424 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ALMNABACE1
SCHEMBL7435568 0.81 KEAP1 (0.44) ITGB3ITGAVITGA2BNOS2BACE1
SCHEMBL12720789 0.79 SPR (0.52) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL7437968 0.79 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL26547322 0.77 MAPT (0.47) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9090227 0.77 SMN1; SMN2 (0.61) ALDH1A1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9677581 0.75 SMN1; SMN2 (0.59) ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL16765682 0.72 NQO2 (0.50) ALDH1A1LMNA
SCHEMBL166980 0.72 L3MBTL1 (0.71) ALDH1A1KMT2AL3MBTL1LMNATSHR
SCHEMBL2731062 0.71 GABRA5 (0.47) ALDH1A1KMT2ASMN1; SMN2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL ALDH1A1 2598/4885KMT2A 4750/4885SMN1; SMN2 1954/4885

“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.