SCHEMBL287315

SCHEMBL287315

N#Cc1ccc(C(=O)O)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 8/20 0.53
P4HA1 P13674 1/20 0.53
MIF P14174 1/20 0.53
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
EGLN1 Q9GZT9 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.42
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42

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
Water SCHEMBL347654 1.00 P4HTM (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8045282 0.98 P4HTM (0.52) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL1550565 0.88 EGLN1 (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL1550618 0.85 EGLN1 (0.65) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL24812334 0.82 EGLN1 (0.43) KDM4EALDH1A1EGLN1L3MBTL1KMT2A
SCHEMBL10638643 0.82 EGLN1 (0.47) KDM4EALDH1A1EGLN1L3MBTL1KMT2A
SCHEMBL1061737 0.82 ALDH1A1 (0.45) KDM4EALDH1A1EGLN1L3MBTL1KMT2A
SCHEMBL2468199 0.82 KMT2A (0.49) KDM4EALDH1A1EGLN1L3MBTL1KMT2A
SCHEMBL18547170 0.82 P4HTM (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL8238126 0.81 PARP15 (0.51) P4HTMP4HA1MIFKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247372-A Preparation method of oxindole compound 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2023-12-19 CN claimed
US-20190352312-A1 PYRIDYL-TRIAZABICYCLES HOFFMANN-LA ROCHE INC. 2019-11-21 US claimed
US-10414780-B2 Pyridyl-triazabicycles HOFFMANN-LA ROCHE INC. (US) 2019-09-17 US claimed
CN-104470915-B Difluoro-hexahydro-cyclopentoxazines and difluoro-hexahydro-benzoxazines as BACE1 inhibitors 霍夫曼-拉罗奇有限公司 2019-07-26 CN claimed
CN-106661053-B Pyridyl-triazabicyclo compounds 豪夫迈·罗氏有限公司 2019-07-12 CN claimed
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP claimed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP claimed
EP-3172206-B1 PYRIDYL-TRIAZABICYCLES HOFFMANN LA ROCHE (CH) 2019-01-30 EP claimed
US-20180312528-A1 PYRIDYL-TRIAZABICYCLES HOFFMANN-LA ROCHE INC. 2018-11-01 US claimed
US-20180194779-A1 PYRIDYL-TRIAZABICYCLES F. HOFFMANN-LA ROCHE AG (CH) 2018-07-12 US claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 EP claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 EP claimed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 WO claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20190352312-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 P4HTM 1729/4885P4HA1 792/4885MIF 2324/4885
US-20180194779-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 P4HTM 1680/4885P4HA1 767/4885MIF 2474/4885
US-10414780-B2 Pyridyl-triazabicycles BACE1, BACE2, PSEN1 P4HTM 1729/4885P4HA1 792/4885MIF 2324/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH P4HTM 257/4885P4HA1 167/4885MIF 4264/4885
US-20180312528-A1 PYRIDYL-TRIAZABICYCLES BACE1, BACE2, PSEN1 P4HTM 1729/4885P4HA1 792/4885MIF 2324/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH P4HTM 296/4885P4HA1 258/4885MIF 2844/4885

“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.