SCHEMBL1291103

SCHEMBL1291103

Cc1cc(C(=O)O)cc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
TPMT P51580 1/20 0.46

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
Sulfuric Acid SCHEMBL28196578 0.93 NOS3 (0.44) NOS3NOS1NOS2GABRPGABRD
SCHEMBL6869717 0.84 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1179149 0.84 TPMT (0.56) TPMTTSHRALOX15HIF1ASMN1; SMN2
SCHEMBL18266234 0.83 NOS2 (0.50) NOS3NOS1NOS2SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1179035 0.82 TPMT (0.54) TPMTTSHRALOX15HIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL11078337 0.82 TPMT (0.54) TPMTTSHRALOX15HIF1ASMN1; SMN2
SCHEMBL18362996 0.82 NOS3 (0.48) NOS3NOS1NOS2GABRPGABRD
Methoxymethane SCHEMBL6871514 0.81 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1291158 0.79 KDM4E (0.52) NOS3NOS1NOS2TSHRSMN1; SMN2
SCHEMBL1668854 0.79 NOS3 (0.45) NOS3NOS1NOS2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602457-A The method of the aminoisonicotinic acid of 6 methyl of one pot process 2 重庆奥舍生物化工有限公司 2018-01-19 CN claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-3317252-B1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-05 US disclosed
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-05 US disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
CN-107602457-A The method of the aminoisonicotinic acid of 6 methyl of one pot process 2 重庆奥舍生物化工有限公司 2018-01-19 CN disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
WO-2017001670-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-05 WO disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-18 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012045803-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 WO disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 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 (4 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-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 NOS3 1466/4885NOS1 3420/4885NOS2 4353/4885
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID IMPDH2, IMPDH1, GFPT1 NOS3 1775/4885NOS1 1162/4885NOS2 586/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 NOS3 1080/4885NOS1 2959/4885NOS2 3202/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 NOS3 915/4885NOS1 2713/4885NOS2 2994/4885

“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.