SCHEMBL1044182

SCHEMBL1044182

Cc1ccc(-n2ccccc2=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
F10 P00742 8/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2E1 P05181 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8285964 0.81 CA12 (0.40) F10CYP3A4CA12CA1CA2
SCHEMBL20390064 0.81 CYP2A6 (0.38) ELANEDRD3KCNH2CYP2A6CYP3A4
SCHEMBL18376668 0.81 CYP2A6 (0.38) ELANEDRD3KCNH2CYP2A6CYP3A4
SCHEMBL2645323 0.80 CA12 (0.39) F10CYP3A4CA12CA1CA2
SCHEMBL21258406 0.79 ELANE (0.43) ELANEDRD3KCNH2CYP2A6CYP3A4
SCHEMBL8285971 0.79 ELANE (0.46) ELANEDRD3KCNH2CYP2A6CYP3A4
SCHEMBL20377738 0.79 POLB (0.59) F10CHRNB2CHRNA4
SCHEMBL18376864 0.79 CHRNB2 (0.41) F10CA12CA1CA2CA9
SCHEMBL27252424 0.79 F10 (0.40) F10CA12CA1CA2CA9
SCHEMBL3832090 0.79 CA12 (0.41) F10CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024062089-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
EP-3319943-B1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-06-26 EP disclosed
EP-3319943-B1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-06-26 EP disclosed
US-10239859-B2 Nitrogen-containing heterocycles as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-26 US disclosed
US-10239859-B2 Nitrogen-containing heterocycles as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-26 US disclosed
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES DDT, DNPH1, PTMS ELANE 3565/4885F10 2201/4885DRD3 783/4885
US-10239859-B2 Nitrogen-containing heterocycles as pesticides DDT, DNPH1, PTMS ELANE 3565/4885F10 2201/4885DRD3 783/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ELANE 146/4885F10 43/4885DRD3 4365/4885

“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.