SCHEMBL7339709

SCHEMBL7339709

N#Cc1ccc2cc(C#Cc3ccccc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.58
TSHR P16473 1/20 0.52
APP P05067 1/20 0.50
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
KLKB1 P03952 1/20 0.49
PRSS1 P07477 1/20 0.49
FFAR1 O14842 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CYP19A1 P11511 1/20 0.46
MAPT P10636 1/20 0.45
GRM5 P41594 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL15185720 0.88 MEN1 (0.49) ASIC3TSHRF2PLGPLAU
SCHEMBL30447338 0.85 ASIC3 (0.63) ASIC3APPFFAR1CA1CA2
SCHEMBL10705668 0.85 ASIC3 (0.63) ASIC3APPFFAR1CA1CA2
SCHEMBL10656211 0.85 TSHR (0.59) TSHRAPPFFAR1MAPTGRM5
SCHEMBL430978 0.83 ASIC3 (0.61) ASIC3APPFFAR1CA1CA2
SCHEMBL8628482 0.83 ASIC3 (0.61) ASIC3APPFFAR1CA1CA2
Benzene SCHEMBL28779520 0.83 CA1 (0.55) TSHRF2PLGPLAUKLKB1
Water SCHEMBL1898776 0.82 CA1 (0.59) TSHRF2PLGPLAUKLKB1
SCHEMBL31150958 0.82 CA1 (0.59) TSHRF2PLGPLAUKLKB1
SCHEMBL60579 0.82 CA1 (0.59) TSHRF2PLGPLAUKLKB1

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 ASIC3 4314/4885TSHR 2687/4885APP 3852/4885

“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.