SCHEMBL10191968

SCHEMBL10191968

Cc1ccc(OCCNC=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.65
DRD4 P21917 9/20 0.65
DRD3 P35462 9/20 0.65
NPC1 O15118 3/20 0.54
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5073066 0.85 DRD2 (0.57) DRD2DRD4DRD3NPC1ALDH1A1
SCHEMBL23067930 0.82 DRD2 (0.92) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL5073531 0.81 DRD4 (0.57) DRD2DRD4DRD3NPC1ATM
SCHEMBL1547986 0.81 DRD4 (0.62) DRD2DRD4DRD3NPC1HPGD
SCHEMBL5075721 0.81 DRD2 (0.59) DRD2DRD4DRD3NPC1ALDH1A1
Formic Acid SCHEMBL5075583 0.81 MTNR1A (0.57) DRD2DRD4DRD3NPC1ALDH1A1
Hydrochloric Acid SCHEMBL8053903 0.80 DRD2 (0.88) DRD2DRD4DRD3NPC1ATM
SCHEMBL5075584 0.80 DRD2 (0.60) DRD2DRD4DRD3NPC1ALDH1A1
SCHEMBL9808662 0.79 DRD2 (0.55) DRD2DRD4DRD3NPC1HPGD
Hydrochloric Acid SCHEMBL8042240 0.79 DRD2 (0.92) DRD2DRD4DRD3NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (3 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS DRD2 4559/4885DRD4 3810/4885DRD3 4256/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS DRD2 4869/4885DRD4 4857/4885DRD3 4856/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS DRD2 4869/4885DRD4 4857/4885DRD3 4856/4885

“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.