SCHEMBL3119009

SCHEMBL3119009

O=C(O)CCNc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MEN1 O00255 1/20 0.54
NSD2 O96028 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CXCL8 P10145 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.47

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
SCHEMBL31139407 1.00 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10MEN1NSD2
SCHEMBL28325177 0.84 SMN1; SMN2 (0.48) ALDH1A1HPGDHSD17B10MAPTL3MBTL1
SCHEMBL21793377 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10MEN1NSD2
Hydrochloric Acid SCHEMBL28780309 0.81 CXCL8 (0.54) ALDH1A1MEN1KMT2AMAPTCXCL8
SCHEMBL2018214 0.81 CXCL8 (0.54) ALDH1A1MEN1KMT2AMAPTCXCL8
SCHEMBL28847313 0.79 CXCL8 (0.53) ALDH1A1MEN1KMT2AMAPTCXCL8
SCHEMBL28122217 0.79 CXCL8 (0.53) ALDH1A1MEN1KMT2AMAPTCXCL8
SCHEMBL28307658 0.79 CXCL8 (0.53) ALDH1A1MEN1KMT2AMAPTCXCL8
SCHEMBL3207752 0.79 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10MEN1NSD2
SCHEMBL8691528 0.79 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10POLBKMT2A

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
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-10-24 US disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
CN-109503478-B 2, 3-dihydro-1H-quinoline-4-ketone thiosemicarbazone derivative and preparation method and application thereof 岭南师范学院 2020-04-24 CN disclosed
US-8222417-B2 Compound having 11β-HSD1 inhibitory activity TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-07-17 US disclosed
US-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP disclosed
EP-0638065-B1 A PROCESS FOR THE PREPARATION OF 3- AND/OR 5-SUBSTITUTED ANTHRANILIC ACIDS DOWELANCO (US) 1997-08-06 EP disclosed
EP-0638065-A1 A PROCESS FOR THE PREPARATION OF 3- AND/OR 5-SUBSTITUTED ANTHRANILIC ACIDS. DOWELANCO (US) 1995-02-15 EP disclosed
WO-1993022276-A1 A PROCESS FOR THE PREPARATION OF 3- AND/OR 5-SUBSTITUTED ANTHRANILIC ACIDS DOWELANCO (US) 1993-11-11 WO disclosed
US-5189210-A Process for the preparation of 3- and/or 5-substituted anthranilic acids DOWELANCO (US) 1993-02-23 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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 ALDH1A1 289/4885HPGD 644/4885HSD17B10 42/4885
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2865/4885HPGD 1650/4885HSD17B10 3418/4885

“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.