SCHEMBL6474291

SCHEMBL6474291

Nc1cc(C(=O)O)nc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HIF1A Q16665 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ACMSD Q8TDX5 1/20 0.39
LMNA P02545 1/20 0.37
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRE P78334 3/20 0.36
GABRA6 Q16445 3/20 0.36

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
SCHEMBL28340647 0.88 TSHR (0.54) TSHRHIF1AALOX15KDM4ETDP1
SCHEMBL4037355 0.86 NQO2 (0.40) TSHRHIF1AALOX15KDM4ETDP1
SCHEMBL6301920 0.80 HIF1A (0.46) TSHRHIF1AALOX15KDM4ETDP1
SCHEMBL15063590 0.78 LMNA (0.52) TSHRHIF1AALOX15KDM4ETDP1
SCHEMBL2718066 0.78 GAA (0.47) TSHRHIF1AALOX15TDP1LMNA
SCHEMBL27488405 0.77 TSHR (0.33) TSHR
SCHEMBL4696447 0.75 NQO2 (0.44) KDM4ECYP1A2ALDH1A1MAPT
SCHEMBL25222774 0.74 NOS2 (0.50) TSHRHIF1AALOX15KDM4EGABRP
SCHEMBL6157042 0.74 HIF1A (0.50) TSHRHIF1AALOX15KDM4ETDP1
SCHEMBL14465135 0.74 NQO2 (0.43) TSHRHIF1AALOX15KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 US disclosed
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 US disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
CN-1210267-C 2-hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2005-07-13 CN disclosed
CN-1427827-A 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2003-07-02 CN disclosed
EP-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP disclosed
US-5420214-A Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0614915-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP 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-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same DHFR, FCGR1A, ADCY4 TSHR 624/4885HIF1A 3259/4885ALOX15 3171/4885

“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.