SCHEMBL2648717

SCHEMBL2648717

O=C(O)Cc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 1/20 0.52
HIF1A Q16665 2/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
VCAM1 P19320 1/20 0.49
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL2656422 1.00 LMNA (0.53) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL5674809 0.87 TDP1 (0.53) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL2729354 0.87 TDP1 (0.53) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL30783383 0.85 LMNA (0.54) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL7252708 0.85 LMNA (0.52) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL2339087 0.85 LMNA (0.55) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL3131783 0.85 LMNA (0.54) LMNAALDH1A1MEN1KMT2ARECQL
Methane SCHEMBL28528368 0.85 TDP1 (0.51) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL1865824 0.84 CASP6 (0.55) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL5484599 0.84 LMNA (0.56) LMNAALDH1A1MEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845337-B Method for synthesizing 2-bromo-4-fluoro-5-amino-ethyl phenylacetate 暨明医药科技(苏州)有限公司 2022-05-24 CN claimed
CN-110845337-A Method for synthesizing 2-bromo-4-fluoro-5-amino-ethyl phenylacetate 暨明医药科技(苏州)有限公司 2020-02-28 CN claimed
EP-4630114-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2025-10-15 EP disclosed
EP-4232431-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO INC (US) 2025-08-13 EP disclosed
WO-2024121183-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-13 WO disclosed
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US disclosed
CN-116888125-B TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-04-12 CN disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
CN-116888125-A TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2023-10-13 CN disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
EP-1265892-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Syngenta Limited (GB) 2002-12-18 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO disclosed
WO-2001055144-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
CN-1234025-A 1-phenyl-benzimidazole compounds and their use as BAGA-A receptor modulator NEUROSEARCH AS (DK) 1999-11-03 CN disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO 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 (1 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 LMNA 1121/4885ALDH1A1 1641/4885MEN1 1798/4885

“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.