SCHEMBL110129

SCHEMBL110129

O=C(O)c1ccc(F)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 13/20 0.59
P4HA1 P13674 1/20 0.59
MIF P14174 1/20 0.59
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 4/20 0.48
MAPK1 P28482 1/20 0.48
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 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
SCHEMBL30449388 1.00 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5223155 0.98 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL31474565 0.98 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL25412159 0.90 KMT2A (0.51) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2636731 0.84 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL29928830 0.84 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL15440496 0.82 P4HTM (0.42) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL17447442 0.82 P4HTM (0.42) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL589084 0.80 ALDH1A1 (0.47) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL4860208 0.80 P4HTM (0.41) 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 1045 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431361-A Preparation method of PARP1 inhibitor 上海喀露蓝科技有限公司 2025-02-14 CN claimed
EP-3568016-B1 MICROCAPSULES COMPRISING CINMETHYLIN IN THE CORE AND A POLYUREA DERIVED FROM DIPHENYLMETHANE DIISOCYANATE OR AN OLIGOMER THEREOF BASF AGRO BV (NL) 2024-07-17 EP claimed
CN-108484699-B Bipyridine alkaloid, preparation method and application thereof 中国海洋大学 2021-11-19 CN claimed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN claimed
US-20190322638-A1 DIPYRIDYL ALKALOID, PREPARATION METHOD THEREFOR AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2019-10-24 US claimed
EP-3263566-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AS ALLOSTERIC MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLU5 OR MGLUR5) FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS H. Lundbeck A/S (DK) 2018-01-03 EP claimed
US-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same H. LUNDBECK A/S (DK) 2017-08-03 US claimed
EP-2654422-B1 Bicyclo[3.2.1]octyl amide derivatives as allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 or mGluR5) for the treatment of central nervous system (CNS) disorders H LUNDBECK AS (DK) 2017-08-02 EP claimed
US-9656975-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2017-05-23 US claimed
EP-2673278-B1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN LA ROCHE (CH) 2016-12-14 EP claimed
US-20120202803-A1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
CN-102595893-A Spirolactam derivatives and uses of same LUNDBECK & CO AS H 2012-07-18 CN claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
JP-2011529057-A 2011-12-01 JP claimed
CN-102105437-A Adamantyl diamide derivatives and uses of same LUNDBECK & CO AS H 2011-06-22 CN claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 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 (5 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-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same SLC10A1, CLIC1, ABCB11 P4HTM 3778/4885P4HA1 1403/4885MIF 4827/4885
US-20190322638-A1 DIPYRIDYL ALKALOID, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, TYMP P4HTM 1224/4885P4HA1 971/4885MIF 955/4885
US-20120202803-A1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, IAPP P4HTM 2615/4885P4HA1 1008/4885MIF 2831/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B P4HTM 1643/4885P4HA1 414/4885MIF 4487/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 P4HTM 902/4885P4HA1 448/4885MIF 3795/4885

“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.