SCHEMBL844308

SCHEMBL844308

Cc1cc2cc(CO)nc(Cl)c2o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
S1PR4 O95977 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31
S1PR2 O95136 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL843270 0.81 S1PR4 (0.32) S1PR4
SCHEMBL16533215 0.74 IDO1 (0.37) ALDH1A1ADORA2AFFAR4
SCHEMBL6662995 0.72 FFAR4 (0.32) ALDH1A1KDM4ECYP1A2CYP3A4MAOA
SCHEMBL12071472 0.71 FFAR4 (0.38) ALDH1A1KDM4ECYP1A2CYP3A4MAOA
SCHEMBL6665667 0.70 KDM4E (0.32) ALDH1A1KDM4ECYP1A2CYP3A4MAOA
SCHEMBL842329 0.69 NOTUM (0.38) S1PR4CYP3A4NOTUM
SCHEMBL4413959 0.68 TLR8 (0.37) ALDH1A1KDM4ECYP1A2CYP3A4MAOA
SCHEMBL843947 0.68 DYRK1A (0.37) ALDH1A1
SCHEMBL21455736 0.67 MAOA (0.38) ALDH1A1S1PR4KDM4ECYP1A2CYP3A4
SCHEMBL21306836 0.66 SHBG (0.38) ALDH1A1S1PR4KDM4ECYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
CN-1764456-A Treatment of related diseases using full alpha-7 nACh receptor agonists PHARMACIA & UPJOHN CO LLC (US) 2006-04-26 CN disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (7 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-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 ALDH1A1 193/4885S1PR4 1604/4885KDM4E 2701/4885
US-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885S1PR4 1646/4885KDM4E 3737/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG ALDH1A1 2277/4885S1PR4 1501/4885KDM4E 4141/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 ALDH1A1 561/4885S1PR4 3351/4885KDM4E 4297/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885S1PR4 1646/4885KDM4E 3737/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885S1PR4 1646/4885KDM4E 3737/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885S1PR4 1646/4885KDM4E 3737/4885

“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.