SCHEMBL12136807

SCHEMBL12136807

Cc1ccc2nc(Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc(-c3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.64
MAPT P10636 7/20 0.62
BACE1 P56817 1/20 0.60
CTNNB1 P35222 3/20 0.56
TCF7L2 Q9NQB0 3/20 0.56
THRB P10828 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 5/20 0.53
GAA P10253 4/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
KLK7 P49862 1/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL27963381 0.90 MAPT (0.64) TP53MAPTBACE1THRBRXFP1
SCHEMBL5220867 0.86 MAPT (0.62) TP53MAPTBACE1THRBRXFP1
SCHEMBL4138365 0.86 MAPT (0.62) TP53MAPTBACE1THRBRXFP1
SCHEMBL4154829 0.84 BACE1 (0.66) TP53MAPTBACE1THRBRXFP1
SCHEMBL4135483 0.82 BACE1 (0.68) TP53MAPTBACE1THRBRXFP1
SCHEMBL4138847 0.81 BACE1 (0.64) TP53MAPTBACE1THRBRXFP1
SCHEMBL10330621 0.81 MAPT (0.58) TP53MAPTBACE1CTNNB1TCF7L2
SCHEMBL4142398 0.80 BACE1 (0.66) TP53MAPTBACE1THRBRXFP1
SCHEMBL4146923 0.80 BACE1 (0.66) TP53MAPTBACE1THRBRXFP1
SCHEMBL12693657 0.80 MAPT (0.53) TP53MAPTBACE1THRBRXFP1

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-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 US disclosed
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 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-20070232661-A1 Hedgehog Pathway Antagonists GLI1, SHH, SMO TP53 231/4885MAPT 3662/4885BACE1 2353/4885

“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.