SCHEMBL7336337

SCHEMBL7336337

COc1ccc2ccc(C#N)cc2c1C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
TUBB1 Q9H4B7 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
AR P10275 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7336333 1.00 CYP1A2 (0.47) CYP1A2CYP1A1CYP1B1TUBB1TUBB4A
SCHEMBL2604931 0.80 CYP1A2 (0.61) CYP1A2CYP1A1CYP1B1TUBB1TUBB4A
SCHEMBL7724994 0.79 CA1 (0.44) CYP1A2ARCYP2C9CYP2C19ACHE
SCHEMBL2604953 0.75 BACE1 (0.61) CYP1A2CYP1A1CYP1B1TUBB1CYP3A4
SCHEMBL7720382 0.75 MAPT (0.47) CYP1A2ARCYP3A4CYP2C9CYP2C19
SCHEMBL2604951 0.75 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1TUBB1CYP3A4
SCHEMBL7337530 0.72 AR (0.46) ARCYP3A4ACHECA1CA2
SCHEMBL7723749 0.72 AR (0.50) ARACHEIMPDH2IMPDH1CA1
SCHEMBL6100006 0.72 ACHE (0.57) ARACHEIMPDH2IMPDH1CA1
SCHEMBL7336527 0.72 PLAU (0.60) ARKDM4E

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-20010049374-A1 Urokinase inhibitors STEELE ANDREW W (US) 2001-12-06 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US 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-20010049374-A1 Urokinase inhibitors SERPINE1, PLAU, SERPINB1 CYP1A2 2408/4885CYP1A1 1957/4885CYP1B1 1620/4885

“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.