SCHEMBL1197908

SCHEMBL1197908

Cc1cc(Cl)ccc1-c1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
NPBWR1 P48145 1/20 0.40
HSD11B1 P28845 3/20 0.39
HSP90AB1 P08238 1/20 0.35
IDO1 P14902 5/20 0.35
CASP3 P42574 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP3A4 P08684 1/20 0.33
CRHR1 P34998 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12496421 0.87 NOTUM (0.39) NOTUMNPBWR1HSD11B1HSP90AB1GRM2
SCHEMBL705941 0.82 HSD11B1 (0.44) NPBWR1HSD11B1HSP90AB1MAPTHPGD
SCHEMBL12496429 0.80 NOTUM (0.36) NOTUMNPBWR1HSD11B1CASP3GRM2
SCHEMBL3416087 0.79 IDO1 (0.32) HSD11B1IDO1
SCHEMBL10254523 0.79 GPR35 (0.35) IDO1POLBHPGD
SCHEMBL1308358 0.79 IDO1 (0.41) IDO1CYP3A4HPGD
SCHEMBL8103412 0.79 NPBWR1 (0.40) NPBWR1HSD11B1IDO1HPGD
SCHEMBL12496694 0.79 NOTUM (0.36) NOTUMNPBWR1HSD11B1CASP3
SCHEMBL23486676 0.79 KDM4E (0.37) NOTUMHSD11B1
SCHEMBL5815364 0.79 ALDH1A1 (0.49) IDO1MAPTHPGD

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
CN-114728962-A Plasma kallikrein inhibitors and uses thereof 武田药品工业有限公司 2022-07-08 CN disclosed
CN-101341129-B Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-12-14 CN disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
CN-101341129-A Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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 (6 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NOTUM 2445/4885NPBWR1 1868/4885HSD11B1 2755/4885
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 NOTUM 531/4885NPBWR1 1944/4885HSD11B1 1172/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 NOTUM 531/4885NPBWR1 1944/4885HSD11B1 1172/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 NOTUM 531/4885NPBWR1 1944/4885HSD11B1 1172/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NOTUM 2445/4885NPBWR1 1868/4885HSD11B1 2755/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NOTUM 2445/4885NPBWR1 1868/4885HSD11B1 2755/4885

“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.