SCHEMBL7080588

SCHEMBL7080588

CCc1cc(CNNc2ccc(Cl)c(CC)c2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
AGTR1 P30556 2/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.35
CYP3A4 P08684 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 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
SCHEMBL3790563 0.74 TRPA1 (0.43) IDO1GAAMAPTSMN1; SMN2SLC6A4
SCHEMBL31453567 0.73 IDO1 (0.51) IDO1MAPTTSHRSLC6A4HTR2A
SCHEMBL24258323 0.71 KMT2A (0.47) MAPTSMN1; SMN2KCNH2CYP3A4ALDH1A1
SCHEMBL7080583 0.70 TSHR (0.40) IDO1TSHRSMN1; SMN2SLC6A4HTR2A
SCHEMBL91286 0.70 POLB (0.40) GAATSHRSMN1; SMN2SLC6A4HTR2A
SCHEMBL5847395 0.70 CSNK2A1 (0.57) IDO1L3MBTL1CSNK2A2CSNK2BCSNK2A1
SCHEMBL5847393 0.70 L3MBTL1 (0.39) IDO1TSHRSMN1; SMN2SLC6A4HTR2A
SCHEMBL13179975 0.70 L3MBTL1 (0.39) IDO1GAATSHRSMN1; SMN2SLC6A4
SCHEMBL3759408 0.70 L3MBTL1 (0.39) IDO1TSHRSMN1; SMN2SLC6A4HTR2A
SCHEMBL14368008 0.68 RORC (0.58) MAPTSMN1; SMN2L3MBTL1CYP3A4POLB

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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 US claimed

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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT IDO1 1099/4885GAA 489/4885MAPT 3747/4885

“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.