SCHEMBL505035

SCHEMBL505035

N#Cc1cc([N+](=O)[O-])cc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.55
XDH P47989 1/20 0.51
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
CYP19A1 P11511 1/20 0.43
GAA P10253 4/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.37
GRM6 O15303 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL19072193 0.84 VCAM1 (0.53) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL16236822 0.82 VCAM1 (0.60) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL14744347 0.82 VCAM1 (0.52) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL16237206 0.82 VCAM1 (0.52) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL658767 0.82 VCAM1 (0.52) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL30202647 0.82 VCAM1 (0.52) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL239666 0.80 CYP19A1 (0.52) VCAM1ALDH1A1LMNACYP19A1HTT
SCHEMBL30949234 0.79 XDH (0.47) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL7782406 0.79 VCAM1 (0.55) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL18339775 0.78 VCAM1 (0.47) VCAM1XDHALDH1A1LMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353835-A1 N-TETRAZOLYL ARYL UREA-BASED DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF HANGZHOU YIRUI PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2025-11-20 US disclosed
EP-4551571-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2025-05-14 EP disclosed
EP-4538261-A1 N-TETRAZOLYL ARYL UREA DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF Hangzhou Yirui Pharmaceutical Technology Co., Ltd. (CN) 2025-04-16 EP disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
US-12098145-B2 Oxazole TRPML1 agonists and uses thereof LIBRA THERAPEUTICS, INC. (US) 2024-09-24 US disclosed
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
WO-2023237015-A1 N-TETRAZOLYL ARYL UREA DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF 杭州壹瑞医药科技有限公司 2023-12-14 WO disclosed
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
US-20180244682-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-08-30 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO disclosed
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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 (7 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-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 VCAM1 1607/4885XDH 3583/4885ALDH1A1 4646/4885
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 VCAM1 4254/4885XDH 637/4885ALDH1A1 1708/4885
US-20180244682-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 VCAM1 1607/4885XDH 3583/4885ALDH1A1 4646/4885
US-12098145-B2 Oxazole TRPML1 agonists and uses thereof TRPM7, TRPM2, TRPM5 VCAM1 2294/4885XDH 1059/4885ALDH1A1 1854/4885
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF TRPM7, TRPM2, TRPM5 VCAM1 2290/4885XDH 911/4885ALDH1A1 2066/4885
US-20250353835-A1 N-TETRAZOLYL ARYL UREA-BASED DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF BDKRB1, BDKRB2, UTS2R VCAM1 187/4885XDH 2018/4885ALDH1A1 2190/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 VCAM1 679/4885XDH 362/4885ALDH1A1 982/4885

“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.