SCHEMBL4147975

SCHEMBL4147975

CCc1ccc(N)nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.54
NOS2 P35228 4/20 0.54
NOS1 P29475 3/20 0.54
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48
GABRG1 Q8N1C3 3/20 0.48
GABRG3 Q99928 3/20 0.48
GABRQ Q9UN88 3/20 0.48
CPB2 Q96IY4 1/20 0.43

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
SCHEMBL24755263 0.83 NOS2 (0.50) NOS3NOS2NOS1GABRPGABRD
SCHEMBL555084 0.82 NOS3 (0.54) NOS3NOS2NOS1GABRPGABRD
Hydrochloric Acid SCHEMBL17442658 0.80 NOS3 (0.52) NOS3NOS2NOS1GABRPGABRD
SCHEMBL28963852 0.80 NOS3 (0.52) NOS3NOS2NOS1GABRPGABRD
Hydrochloric Acid SCHEMBL1902299 0.80 NOS3 (0.52) NOS3NOS2NOS1GABRPGABRD
SCHEMBL10400002 0.79 GABRP (0.46) NOS3NOS2NOS1GABRPGABRD
SCHEMBL3922995 0.78 NOS3 (0.45) NOS3NOS2NOS1GABRPGABRD
SCHEMBL25410695 0.78 GABRP (0.55) NOS3NOS2NOS1GABRPGABRD
SCHEMBL9269242 0.77 CTRC (0.38)
SCHEMBL24069972 0.77 NOS3 (0.48) NOS3NOS2NOS1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
CN-101300236-A Triazole compounds as lipoxygenase inhibitors BIOLIPOX AB (SE) 2008-11-05 CN 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 (5 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B NOS3 166/4885NOS2 124/4885NOS1 161/4885
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 NOS3 319/4885NOS2 535/4885NOS1 437/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 NOS3 266/4885NOS2 286/4885NOS1 397/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NOS3 3501/4885NOS2 2487/4885NOS1 3702/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 NOS3 3501/4885NOS2 2487/4885NOS1 3702/4885

“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.