SCHEMBL895506

SCHEMBL895506

CCC(C(=O)O)c1ncc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
AKR1C3 P42330 7/20 0.39
AKR1C2 P52895 7/20 0.39
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37
BCHE P06276 1/20 0.36
LIPE Q05469 1/20 0.36
CRHR1 P34998 2/20 0.36
PSMB5 P28074 1/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL895856 0.84 S1PR3 (0.43) AKR1C3AKR1C2S1PR3S1PR1
SCHEMBL940332 0.75 MAPK1 (0.40) L3MBTL1LMNABCHELIPES1PR3
SCHEMBL895866 0.74 KCNQ2 (0.42) LMNAAKR1C3AKR1C2S1PR3S1PR1
SCHEMBL22193246 0.74 CRHR1 (0.40) L3MBTL1LMNABCHELIPECRHR1
SCHEMBL896209 0.73 MEN1 (0.56) L3MBTL1LMNABCHELIPES1PR3
SCHEMBL22530887 0.71 KMT2A (0.46) L3MBTL1LMNAS1PR3S1PR1MAPK1
SCHEMBL896359 0.71 AKR1C3 (0.38) LMNAAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL29355151 0.71 KMT2A (0.46) L3MBTL1LMNAS1PR3S1PR1MAPK1
SCHEMBL3430128 0.71 S1PR3 (0.40) L3MBTL1LMNAS1PR3S1PR1MAPK1
SCHEMBL896777 0.71 AKR1C3 (0.44) AKR1C3AKR1C2AKR1C1PTGS1

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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK L3MBTL1 3783/4885LMNA 2869/4885AKR1C3 2050/4885

“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.