SCHEMBL3743073

SCHEMBL3743073

COc1c(-c2cccc(N)c2)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 2/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.42
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.40
FLT3 P36888 1/20 0.40
BRD4 O60885 2/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 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
SCHEMBL3743066 0.78 PARP1 (0.53) FYN
SCHEMBL9760097 0.77 PDE4B (0.53) ALDH1A1CYP3A4MAPTSMN1; SMN2MEN1
SCHEMBL6324941 0.71 PDE4B (0.55) ALDH1A1CYP3A4MAPTSMN1; SMN2MEN1
SCHEMBL3785574 0.70 FYN (0.54) ALDH1A1CYP3A4MAPTFYNMAOA
SCHEMBL22171334 0.70 MAOA (0.53) ALDH1A1CYP3A4MAPTFYNMAOA
SCHEMBL3785992 0.70 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTFYNMAOA
SCHEMBL13733190 0.69 FYN (0.56) ALDH1A1CYP3A4MAPTFYNMAP4K4
SCHEMBL31607610 0.69 FYN (0.49) ALDH1A1CYP3A4MAPTFYNMAOA
SCHEMBL16431919 0.69 MAP4K4 (0.56) ALDH1A1CYP3A4MAPTMAOAMAP4K4
SCHEMBL3091866 0.68 CYP3A4 (0.76) ALDH1A1CYP3A4MAOAMAP4K4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-20060111349-A1 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. 2006-05-25 US disclosed
WO-2006034111-A1 (ARYLAMIDOARYL)SQUARAMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 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-20060111349-A1 (Arylamidoaryl)squaramide compounds KIT, TSSK6, MCTS1 ALDH1A1 1291/4885CYP3A4 3428/4885MAPT 4684/4885

“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.