SCHEMBL14468360

SCHEMBL14468360

CC(C)Cc1ccnc(CI)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ LNPEP Q9UIQ6 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ CTSS P25774 1/20 0.31

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
SCHEMBL6560519 0.86 GABRA1 (0.42) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL17000195 0.82 POLB (0.44) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL23863910 0.81 GABRA1 (0.39) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL17000197 0.79 KDM4E (0.49) GABRA1GABRB2KDM4ELNPEPCTSS
SCHEMBL18458630 0.78 GABRA1 (0.48) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL18924479 0.78 ESR1 (0.43) SMN1; SMN2PGRADORA3PTGS1SLC6A2
SCHEMBL19822050 0.78 PGR (0.40) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL14470239 0.78 NOS3 (0.55) KDM4EPOLBNOS3NOS1NOS2
SCHEMBL487712 0.76 UHRF1 (0.46) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL21667315 0.76 PNMT (0.46) SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 GABRA1 2177/4885GABRB2 1169/4885KDM4E 418/4885

“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.

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