SCHEMBL6087364

SCHEMBL6087364

O=C(Cl)C(=O)c1cn(Cc2ccc(F)c(F)c2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HTT P42858 3/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA1 P30542 2/20 0.56
NPSR1 Q6W5P4 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50

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
SCHEMBL6086686 0.87 POLB (0.74) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6086011 0.86 TUBB4A (0.64) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6086528 0.85 ALDH1A1 (0.61) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6085451 0.84 ADORA1 (0.76) POLBHTTMAPTALDH1A1ADORA1
SCHEMBL6085939 0.82 ADORA1 (0.61) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6085325 0.81 RAB9A (0.72) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6085594 0.79 HTT (0.71) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6086319 0.77 TUBB4A (0.52) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6086398 0.77 TUBB4A (0.48) POLBHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL6086707 0.77 TUBB4A (0.55) POLBHTTMAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 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-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 1663/4885HTT 3560/4885MAPT 3790/4885

“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.