SCHEMBL4841013

SCHEMBL4841013

NC(=O)c1cccc2cc(CN3CCOCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.58
PARP2 Q9UGN5 2/20 0.58
PARP3 Q9Y6F1 2/20 0.58
GRM2 Q14416 1/20 0.50
NCF1 P14598 1/20 0.50
JAK2 O60674 2/20 0.49
NOS1 P29475 1/20 0.49
CHEK1 O14757 1/20 0.48
CDK7 P50613 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SYK P43405 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL4839401 0.91 KMT2A (0.51) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL4844426 0.88 PARP1 (0.56) PARP1PARP2PARP3CHEK1KDM4E
SCHEMBL4850567 0.87 PARP1 (0.57) PARP1PARP2PARP3CHEK1SMN1; SMN2
SCHEMBL4848459 0.85 GRM2 (0.50) PARP1PARP2PARP3GRM2KDM4E
SCHEMBL4841024 0.78 NCF1 (0.61) PARP1NCF1NOS1SMN1; SMN2KDM4E
SCHEMBL3590235 0.78 PARP1 (0.49) PARP1PARP2PARP3GRM2NCF1
SCHEMBL145235 0.78 PARP1 (0.49) PARP1PARP2PARP3GRM2NCF1
SCHEMBL3641139 0.76 PARP1 (0.51) PARP1PARP2PARP3GRM2NCF1
SCHEMBL13162039 0.76 CHUK (0.53) PARP1PARP2PARP3NCF1NOS1
Hydrochloric Acid SCHEMBL347360 0.76 PARP1 (0.48) PARP1PARP2PARP3GRM2NCF1

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-7368462-B1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-20080058423-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY 2008-03-06 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-20080058423-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R PARP1 4873/4885PARP2 4863/4885PARP3 4713/4885

“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.