SCHEMBL21487282

SCHEMBL21487282

O=[N+]([O-])c1c(C(F)(F)F)ccc(Br)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S100A4 P26447 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
TTR P02766 1/20 0.35
EPAS1 Q99814 2/20 0.35
AR P10275 4/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL102571 0.81 EPAS1 (0.42) S100A4ABCC8KCNJ11TTREPAS1
SCHEMBL18980365 0.79 ALDH1A1 (0.40) ABCC8KCNJ11EPAS1CYP3A4ALDH1A1
SCHEMBL102949 0.77 S100A4 (0.40) S100A4TTRALDH1A1GPR35
SCHEMBL21487911 0.76 S100A4 (0.34) MAPTNPSR1S100A4ABCC8KCNJ11
SCHEMBL27986034 0.75 EPAS1 (0.40) MAPTABCC8KCNJ11EPAS1LMNA
SCHEMBL21487448 0.74 S100A4 (0.33) S100A4GPR35
SCHEMBL18980616 0.74 EPHX1 (0.41) MAPTABCC8KCNJ11ARCYP3A4
SCHEMBL29722492 0.74 EPHX1 (0.41) MAPTABCC8KCNJ11ARCYP3A4
SCHEMBL21487236 0.73 TSHR (0.41) S100A4CYP3A4ALDH1A1TSHRGPR35
SCHEMBL21487115 0.73 ALDH1A1 (0.50) MAPTS100A4CYP3A4ALDH1A1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-03-04 US disclosed
CN-110114358-B Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2021-12-03 CN disclosed
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-10-14 US disclosed
EP-3560925-B1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO LTD (JP) 2021-06-02 EP disclosed
EP-3815687-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seika Pharma Co., Ltd. (JP) 2021-05-05 EP disclosed
CN-112312914-A Therapeutic agent for inflammatory disease, autoimmune disease, fibrotic disease, and cancer disease 明治制果药业株式会社 2021-02-02 CN disclosed
US-10669283-B2 Compound and pharmacologically acceptable salt thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2020-06-02 US disclosed
WO-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seikaファルマ株式会社 2020-01-02 WO disclosed
EP-3560925-A1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2019-10-30 EP disclosed
US-20190322686-A1 NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2019-10-24 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 (4 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-20190322686-A1 NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF REN, CYP11B1, CYP11B2 MAPT 3939/4885XBP1 1832/4885NPSR1 366/4885
US-10669283-B2 Compound and pharmacologically acceptable salt thereof REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 MAPT 3178/4885XBP1 2285/4885NPSR1 351/4885
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES CCR1, SSB, C5 MAPT 4782/4885XBP1 316/4885NPSR1 3277/4885
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 MAPT 4782/4885XBP1 316/4885NPSR1 3277/4885

“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.