SCHEMBL661675

SCHEMBL661675

C[CH]c1ncc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48
NOS1 P29475 2/20 0.48
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
CYP1A2 P05177 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
CYP2A6 P11509 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL7235622 0.82 NOS2 (0.45) NOS3NOS2NOS1CCR1CCR5
SCHEMBL7235627 0.82 NOS2 (0.45) NOS3NOS2NOS1CCR1CCR5
SCHEMBL1206724 0.79 NOS3 (0.46) NOS3NOS2NOS1CCR1CCR5
SCHEMBL7245034 0.79 NOS3 (0.46) NOS3NOS2NOS1CCR1CCR5
SCHEMBL19258550 0.76 NOS3 (0.43) NOS3NOS2NOS1CCR1CCR5
SCHEMBL2083609 0.74 NOS3 (0.42) NOS3NOS2NOS1CCR1CCR5
SCHEMBL19937127 0.74 NOS3 (0.42) NOS3NOS2NOS1CCR1CCR5
SCHEMBL2083611 0.74 NOS3 (0.42) NOS3NOS2NOS1CCR1CCR5
SCHEMBL24466707 0.73 NOS3 (0.41) NOS3NOS2NOS1CCR1CCR5
SCHEMBL22853841 0.70 NOS3 (0.38) NOS3NOS2NOS1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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 (2 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA NOS3 1223/4885NOS2 939/4885NOS1 1765/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD NOS3 1654/4885NOS2 2368/4885NOS1 1760/4885

“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.