SCHEMBL6623243

SCHEMBL6623243

COc1cc(NN)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 4/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 3/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
AKR1C3 P42330 6/20 0.46
AKR1C2 P52895 6/20 0.46
HTT P42858 1/20 0.45
HSD17B10 Q99714 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
Hydrochloric Acid SCHEMBL2557331 0.98 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTTDP1NPC1
SCHEMBL1839092 0.86 KDM4E (0.54) ALDH1A1KDM4EMAPTTDP1NPC1
SCHEMBL11368920 0.86 MAPT (0.57) ALDH1A1KDM4EMAPTTDP1NPC1
Hydrochloric Acid SCHEMBL1403100 0.85 KDM4E (0.53) ALDH1A1KDM4EMAPTTDP1NPC1
SCHEMBL25167821 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTTDP1NPC1
SCHEMBL1162352 0.81 TDP1 (0.56) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL10105366 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL2390452 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTTDP1NPC1
Oxalic Acid SCHEMBL20984714 0.81 CYP1A2 (0.53) ALDH1A1KDM4EMAPTNPC1POLB
Hydrochloric Acid SCHEMBL2512014 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO claimed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-8933228-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2015-01-13 US disclosed
US-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2013-06-20 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
WO-2011158044-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2011-12-22 WO disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
US-6831079-B1 Oral delivery; nitrogen triheterocyclic active material, surfactant, polyethylene glycol with sucrose fatty acid esters and/or polyvinylpyrrolidone AMERICAN CYANAMID COMPANY 2004-12-14 US disclosed
EP-1000062-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-22 EP disclosed
US-6511974-B1 Non-peptidic and have good oral bioavailability, specific vasopressin V2 agonists, therefore do not raise blood pressure WYETH 2003-01-28 US disclosed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP disclosed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 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 (3 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-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN TSLP, CCL11, RORB ALDH1A1 869/4885KDM4E 4101/4885MAPT 2321/4885
US-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 ALDH1A1 1479/4885KDM4E 3646/4885MAPT 890/4885
US-20180201611-A1 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB ALDH1A1 869/4885KDM4E 4101/4885MAPT 2321/4885

“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.