SCHEMBL6300272

SCHEMBL6300272

O=C1CCCc2c1ccc(O)c2[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PRKCI P41743 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MCL1 Q07820 1/20 0.38
STS P08842 2/20 0.38
HSD17B1 P14061 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL7098722 0.82 ALDH1A1 (0.46) CYP3A4MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10749450 0.81 TDP1 (0.39) CYP3A4MAPTGRIN2DGRIN3BGRIN1
SCHEMBL25230927 0.81 GRIN2D (0.35) MAOAMAOBPRKCICYP3A4MAPT
SCHEMBL5188322 0.78 MAPT (0.53) HSD17B1CYP3A4MAPTCYP1A2CYP2C9
SCHEMBL6999412 0.78 GRIN2D (0.44) GPR35MCL1STSGRIN2DGRIN3B
SCHEMBL4657911 0.77 ALDH1A1 (0.39) MAOAMAOBPRKCICYP3A4MAPT
SCHEMBL10748451 0.76 BAZ2B (0.46) CYP3A4MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9521410 0.75 ACHE (0.53) MAOAMAOBPRKCIMCL1HSD17B1
SCHEMBL6112969 0.75 ALDH1A1 (0.50) HSD17B1CYP3A4MAPTCYP1A2CYP2C9
SCHEMBL23106195 0.75 ALDH1A1 (0.41) MAOAMAOBPRKCIGPR35MCL1

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-20220372031-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2022-11-24 US disclosed
WO-2021047547-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海长森药业有限公司 2021-03-18 WO disclosed
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 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-20220372031-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 MAOA 2501/4885MAOB 2407/4885PRKCI 2914/4885
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 MAOA 3197/4885MAOB 2947/4885PRKCI 1911/4885

“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.