SCHEMBL3551196

SCHEMBL3551196

OCc1cc2c(s1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
ADRA1D P25100 2/20 0.49
DAO P14920 1/20 0.48
ALDH1A1 P00352 7/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
GRIN2B Q13224 4/20 0.43
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 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
SCHEMBL11237572 0.96 POLB (0.61) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL26858055 0.79 POLB (0.51) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL10158642 0.79 POLB (0.51) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL16423060 0.75 POLB (0.56) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL8000759 0.75 POLB (0.56) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL16418540 0.75 CYP2A6 (0.34) POLBGRIN2B
SCHEMBL12797609 0.75 ADRA1D (0.49) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL11987826 0.73 POLB (0.59) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL11987816 0.73 POLB (0.59) POLBADRA1DDAOALDH1A1CYP1A2
SCHEMBL16519854 0.72 POLB (0.53) POLBADRA1DDAOALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-4327109-A INSECTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1982-04-27 US disclosed
US-4229469-A Insecticidal alkadienylcyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1980-10-21 US disclosed
US-3998868-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-21 US disclosed
US-3954814-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-04 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-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 POLB 2216/4885ADRA1D 4597/4885DAO 3003/4885
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS POLB 717/4885ADRA1D 4605/4885DAO 104/4885

“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.