SCHEMBL3833650

SCHEMBL3833650

Cc1ccc(OC(=O)Cl)cc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 1/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.44
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3880440 0.84 SMN1; SMN2 (0.43) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL3826570 0.83 L3MBTL1 (0.56) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL12337793 0.83 L3MBTL1 (0.56) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL4780465 0.82 HTR2A (0.39) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL3883234 0.82 NPC1 (0.43) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL3879835 0.82 MRGPRX4 (0.44) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL13958242 0.82 ACHE (0.41) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL13470760 0.81 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL862851 0.81 ACHE (0.65) L3MBTL1TDP1NPC1ALDH1A1MAPT
SCHEMBL28534465 0.81 TDP1 (0.58) L3MBTL1TDP1NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 US disclosed
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 US disclosed
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 US disclosed
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 US disclosed
EP-1957571-B1 STABILIZED THERMOPLASTIC COMPOSITION, METHOD OF MAKING, AND ARTICLES FORMED THEREFROM GEN ELECTRIC (US) 2009-09-16 EP disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 US disclosed
EP-1049668-A1 KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE Akzo Nobel N.V. (NL) 2000-11-08 EP disclosed
WO-1999052864-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL N.V. (NL) 1999-10-21 WO disclosed
WO-1999032442-A1 KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE AKZO NOBEL N.V. (NL) 1999-07-01 WO disclosed
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
US-4069340-A ARYLOXY DIMETHYL IMMONIUM CHLORIDES FROM DIMETHYL FORMAMIDE AND CORRESPONDING ARYL CHLOROFORMATES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 US disclosed
US-3983178-A Immonium salts and derivatives thereof HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-09-28 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-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 L3MBTL1 4239/4885TDP1 1970/4885NPC1 1188/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 L3MBTL1 4239/4885TDP1 1970/4885NPC1 1188/4885

“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.