SCHEMBL1975201

SCHEMBL1975201

CC(=CC(=O)O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
GAA P10253 3/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.59
NAPRT Q6XQN6 1/20 0.59
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
PTGS2 P35354 1/20 0.53
EPHX1 P07099 2/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52

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
SCHEMBL1975200 1.00 MAPT (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL14482921 1.00 MAPT (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL10491011 0.93 MAPT (0.65) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL317471 0.88 MAPT (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL317470 0.88 MAPT (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL317469 0.88 MAPT (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL11530335 0.86 PTGS2 (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL11530331 0.86 PTGS2 (0.63) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL3725716 0.83 MAPT (0.59) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL3725713 0.83 MAPT (0.59) MAPTGAAKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961640-B A kind of preparation method of optically pure 3-amino-n-butyl alcohol 嵊州市油脂化工有限公司 2016-09-07 CN disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-4923504-A 2-(2-Imidazolin-2-yl)pyridines and quinolines, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1990-05-08 US disclosed
US-4798619-A 2-(2-imidazolin-2-yl)-pyridines and quinolines and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1989-01-17 US disclosed
US-4638068-A 2-(2-imidazolin-2-yl)-pyridines and quinolines, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-01-20 US disclosed
US-4459409-A METHYL-QUINOLINECARBOXYLIC ACID, OXIDATION, NICKEL PEROXIDE AMERICAN CYANAMID COMPANY (US) 1984-07-10 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 (2 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 MAPT 2522/4885GAA 1666/4885KDM4E 3358/4885
US-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 MAPT 1976/4885GAA 1591/4885KDM4E 2090/4885

“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.