SCHEMBL3368486

SCHEMBL3368486

O=C(O)NCc1cccc(CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 2/20 0.52
MAPT P10636 1/20 0.52
ALOX12 P18054 1/20 0.52
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.47
ESR1 P03372 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AOC3 Q16853 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8059189 0.92 CYP1A2 (0.68) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16396868 0.91 AOC3 (0.58) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31160290 0.83 TSHR (0.58) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20973086 0.83 CYP1A2 (0.58) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1903558 0.83 NPSR1 (0.50) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL13920481 0.83 ALDH1A1 (0.49) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL185065 0.83 CYP1A2 (0.68) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9943885 0.83 CYP1A2 (0.44) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4341722 0.83 CYP1A2 (0.58) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29675845 0.83 NPSR1 (0.50) ALDH1A1LMNAPKMMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-10829441-B2 Reactive oxygen species-sensitive nitric oxide synthase inhibitors for the treatment of ischemic stroke THE UNIVERSITY OF TOLEDO (US) 2020-11-10 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US disclosed
US-20190144377-A1 Reactive Oxygen Species-Sensitive Nitric Oxide Synthase Inhibitors for the Treatment of Ischemic Stroke THE UNIVERSITY OF TOLEDO (US) 2019-05-16 US disclosed
WO-2018156595-A1 CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2018-08-30 WO disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20090253166-A1 Conjugation of Peptides NOVO NORDISK A/S (DK) 2009-10-08 US disclosed
US-20090253864-A1 IL-21 Derivatives and Variants NOVO NORDISK A/S (DK) 2009-10-08 US disclosed
US-7524813-B2 Selectively conjugated peptides and methods of making the same NOVO NORDISK HEALTH CARE AG (CH) 2009-04-28 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
US-20060228331-A1 IL-21 Derivatives and variants NOVO NORDISK A/S (DK) 2006-10-12 US disclosed
EP-1673464-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-06-28 EP disclosed
US-6933295-B2 Substituted isoindoles and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
WO-2005035553-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-04-21 WO disclosed
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 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 (10 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TSHR 1439/4885CYP1A2 4863/4885CYP2D6 4404/4885
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders F2, SERPINC1, F11 TSHR 2719/4885CYP1A2 119/4885CYP2D6 1155/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 TSHR 1439/4885CYP1A2 4863/4885CYP2D6 4404/4885
US-20190144377-A1 Reactive Oxygen Species-Sensitive Nitric Oxide Synthase Inhibitors for the Treatment of Ischemic Stroke NOS3, NOS1, NOS2 TSHR 1949/4885CYP1A2 1218/4885CYP2D6 2846/4885
US-20070111926-A1 Conjugation of peptides DNPEP, ENPEP, ANPEP TSHR 922/4885CYP1A2 3849/4885CYP2D6 3016/4885
US-20090253166-A1 Conjugation of Peptides DNPEP, ENPEP, ANPEP TSHR 922/4885CYP1A2 3849/4885CYP2D6 3016/4885
US-10829441-B2 Reactive oxygen species-sensitive nitric oxide synthase inhibitors for the treatment of ischemic stroke NOS3, NOS1, NOS2 TSHR 1949/4885CYP1A2 1218/4885CYP2D6 2846/4885
US-20060228331-A1 IL-21 Derivatives and variants IL2, IL15, IL23R TSHR 2480/4885CYP1A2 584/4885CYP2D6 1426/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB TSHR 4480/4885CYP1A2 4504/4885CYP2D6 4787/4885
US-20090253864-A1 IL-21 Derivatives and Variants IL2, IL15, IL23R TSHR 2480/4885CYP1A2 584/4885CYP2D6 1426/4885

“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.