SCHEMBL12420780

SCHEMBL12420780

Cc1cccc(CCOc2cccc(C(=O)N3CCNCC3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
ALDH1A1 P00352 1/20 0.48
MAOB P27338 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
RECQL P46063 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
GPR183 P32249 1/20 0.45

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
SCHEMBL12509138 0.89 PARP1 (0.59) PARP1ALDH1A1HPGDDRD2DRD3
SCHEMBL12420779 0.87 PARP1 (0.59) PARP1ALDH1A1MAOBPOLBSIRT2
SCHEMBL12420802 0.87 PARP1 (0.59) PARP1ALDH1A1MAOB
SCHEMBL12420786 0.84 PARP1 (0.59) PARP1ALDH1A1MAOBPOLB
SCHEMBL12420602 0.83 PARP1 (0.57) PARP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL2195811 0.82 PARP1 (0.56) PARP1ALDH1A1POLB
SCHEMBL25120529 0.82 FAAH (0.59) ALDH1A1POLBSIRT2
SCHEMBL1902697 0.79 GABRD (0.74) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL11085975 0.79 ALDH1A1 (0.74) PARP1ALDH1A1MAOBRECQL
SCHEMBL13657385 0.76 PARP1 (0.58) PARP1GABRDGABRA1GABRB1GABRA5

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R PARP1 3006/4885GABRD 1423/4885GABRA1 1284/4885

“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.