SCHEMBL14928249

SCHEMBL14928249

O=[N+]([O-])c1ccc2c(cnn2CCF)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.75
MAPT P10636 8/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.41
KMO O15229 1/20 0.41
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SMARCA2 P51531 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL31304164 0.92 GLS (0.71) GLSMAPTPOLBATMMEN1
SCHEMBL14923499 0.89 GLS (0.59) GLSMAPTPOLBATMMEN1
SCHEMBL2933655 0.86 GLS (0.75) GLSMAPTPOLBATMMEN1
SCHEMBL10982770 0.82 GLS (0.70) GLSMAPTPOLBATMLMNA
SCHEMBL5347812 0.82 GLS (0.70) GLSMAPTPOLBMEN1LMNA
SCHEMBL6069724 0.82 GLS (0.70) GLSMAPTCYP19A1RXFP1HTT
SCHEMBL29533974 0.82 GLS (0.70) GLSMAPTCYP19A1RXFP1HTT
SCHEMBL3808355 0.82 GLS (0.70) GLSMAPTLMNAKMT2ACYP19A1
SCHEMBL14910007 0.82 GLS (0.65) GLSMAPTPOLBMEN1LMNA
SCHEMBL2075325 0.81 GLS (0.68) GLSMEN1LMNAKMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 US disclosed
CN-116322683-A Compounds as C5AR inhibitors 科越医药(苏州)有限公司 2023-06-23 CN disclosed
EP-4192816-A1 COMPOUNDS AS C5AR INHIBITORS Kira Pharmaceuticals (Suzhou) Ltd. (CN) 2023-06-14 EP disclosed
WO-2022028586-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2022-02-10 WO disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK GLS 319/4885MAPT 4186/4885POLB 4026/4885
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 GLS 2551/4885MAPT 4518/4885POLB 3754/4885

“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.