SCHEMBL12136708

SCHEMBL12136708

CCOc1ccccc1Nc1nc(C)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
ALDH1A1 P00352 5/20 0.72
GAA P10253 5/20 0.72
HPGD P15428 2/20 0.72
KDM4E B2RXH2 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
CCR4 P51679 1/20 0.57
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CFTR P13569 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
GCK P35557 4/20 0.52
MAPK10 P53779 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL12136779 0.79 MAPT (1.00) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL18550646 0.78 GAA (0.62) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL3635774 0.77 ALOX15 (0.58) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL12136771 0.76 RAB9A (0.77) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL11521594 0.76 MAPK10 (0.62) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL837871 0.76 MEN1 (0.64) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL3603836 0.76 MAPT (0.59) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL8277525 0.75 KMT2A (0.58) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL17226235 0.75 MAPT (0.56) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL14053873 0.74 ALDH1A1 (0.57) MAPTALDH1A1GAAKDM4ETDP1

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 2 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-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 MAPT 3662/4885ALDH1A1 1802/4885GAA 1438/4885

“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.