SCHEMBL4347338

SCHEMBL4347338

O=C(O)c1c(-c2ccccc2)cnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.53
PDE10A Q9Y233 4/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.51
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL18745 0.91 PDE10A (0.51) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL3787063 0.83 MEN1 (0.46) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL3782566 0.83 ALDH1A1 (0.49) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL3775607 0.82 DHODH (0.56) DHODHPDE10A
SCHEMBL3786796 0.81 DHODH (0.48) DHODHPDE10ALMNATSHRALDH1A1
SCHEMBL3775453 0.81 TACR1 (0.42) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL1759028 0.79 ERN1 (0.54) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL352547 0.79 PDE10A (0.50) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL29450068 0.79 PDE10A (0.50) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL2512893 0.77 KDM4E (0.60) DHODHPDE10ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521171-A COPPER COMPLEX WITH HETEROCYCLIC CARBOXYLIC ACID SORENSON JOHN R J (US) 1996-05-28 US claimed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO disclosed
US-6306846-B1 ADMINISTERING A COPPER ORGANIC COORDINATION COMPOUND FOR TREATMENT OF ULCERS SORENSON JOHN R J (US) 2001-10-23 US disclosed
US-5541174-A COORDINATION COMPOUND OF COPPER AND AN AMINO ACID SORENSON JOHN R J (US) 1996-07-30 US disclosed
US-5521171-A COPPER COMPLEX WITH HETEROCYCLIC CARBOXYLIC ACID SORENSON JOHN R J (US) 1996-05-28 US disclosed
US-5216021-A Copper coordination compounds SORENSON JOHN R J (US) 1993-06-01 US disclosed
US-5082834-A Antiarthritic agents, coordination compounds of copper and aci d salicylates J.R.J. SORENSON CORP. 1992-01-21 US disclosed
US-4999347-A Copper coordination compounds J.R.J. SORENSON CORP. 1991-03-12 US disclosed
US-4801593-A VIRICIDE FOR RHINITIS VIRUS CONTAINING 2-PHENYLTETRALIN DERIVATIVE BURROUGHS WELLCOME CO. (US) 1989-01-31 US disclosed
EP-0025598-B1 THE USE OF 2-PHENYLTETRALIN DERIVATIVES, OR HETEROCYCLIC ANALOGUES, IN MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-08-01 EP disclosed
US-4440754-A COPPER COORDINATION COMPOUNDS J.R.J. SORENSON CORP. 1984-04-03 US disclosed
EP-0025598-A1 The use of 2-phenyltetralin derivatives, or heterocyclic analogues, in medicine and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP disclosed
US-4221785-A COORDINATION COMPOUND OF A COPPER SALT AND A SALICYLIC ACID OR ITS DERIVATIVE J.R.J. SORENSON CORP. 1980-09-09 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 (1 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C DHODH 677/4885PDE10A 23/4885LMNA 2921/4885

“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.