SCHEMBL4790109

SCHEMBL4790109

Nc1cc(C(=O)O)c(Br)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 6/20 0.56
GABRD O14764 6/20 0.56
GABRA1 P14867 6/20 0.56
GABRB1 P18505 6/20 0.56
GABRG2 P18507 6/20 0.56
GABRB3 P28472 6/20 0.56
GABRA5 P31644 6/20 0.56
GABRA3 P34903 6/20 0.56
GABRA2 P47869 6/20 0.56
GABRB2 P47870 6/20 0.56
GABRA4 P48169 6/20 0.56
GABRE P78334 6/20 0.56
GABRA6 Q16445 6/20 0.56
GABRG1 Q8N1C3 6/20 0.56
GABRG3 Q99928 6/20 0.56
GABRQ Q9UN88 6/20 0.56
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 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
Nitrous Acid SCHEMBL29229231 0.93 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1913171 0.82 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2249284 0.79 HSD17B10 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL339661 0.78 KDM4E (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6297457 0.78 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5357531 0.78 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21826652 0.78 AKR1C4 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8220004 0.78 KDM4E (0.60) LCKFYNCA12CA1CA2
SCHEMBL20640895 0.76 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1998749 0.76 NAPRT (0.42) LCKFYNCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109821074-B Intelligent children testicular prosthesis based on implanted silica gel 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2021-11-26 CN claimed
CN-101863830-B Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2012-07-25 CN claimed
CN-101863830-A Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2010-10-20 CN claimed
CN-109821074-B Intelligent children testicular prosthesis based on implanted silica gel 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2021-11-26 CN disclosed
CN-109821074-B Intelligent children testicular prosthesis based on implanted silica gel 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2021-11-26 CN disclosed
CN-108619095-B Medical chitosan sterilization spray 宁波科瑞特动物药业有限公司 2020-12-18 CN disclosed
CN-109821074-A A kind of intelligent children testicular prosthese based on implantable silica gel 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2019-05-31 CN disclosed
CN-109821074-A A kind of intelligent children testicular prosthese based on implantable silica gel 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2019-05-31 CN disclosed
CN-108619095-A A kind of chitosan medical sterilization spray 宁波科瑞特动物药业有限公司 2018-10-09 CN disclosed
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
CN-101863830-B Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2012-07-25 CN disclosed
CN-101863830-B Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2012-07-25 CN disclosed
CN-101863830-B Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2012-07-25 CN disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed
CN-102321016-A Synthesis method of 5-bromo-2-methyl 4-hydroxypyridinecarboxylate SHANDONG INST LIGHT INDUSTRY 2012-01-18 CN disclosed
CN-101863830-A Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2010-10-20 CN disclosed
CN-101863830-A Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2010-10-20 CN disclosed
CN-101863830-A Synthesis method of 2-amino-5-bromine isonicotinic acid ZHEJIANG CHIMICA LAB CO LTD 2010-10-20 CN 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-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS GABRP 2637/4885GABRD 4003/4885GABRA1 3882/4885

“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.