SCHEMBL21487585

SCHEMBL21487585

CSc1cc(Br)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.47
ERN1 O75460 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11754736 0.87 GPR35 (0.61) GPR35CA12CA1CA2CA9
SCHEMBL7021273 0.86 GPR35 (0.46) GPR35ERN1CA12CA1CA2
SCHEMBL21695806 0.79 ALDH1A1 (0.36) ALDH1A1CYP1A2MAPTMAPK1HIF1A
SCHEMBL21648867 0.77 TSHR (0.50) CA1CA2ALDH1A1KDM4EMEN1
SCHEMBL3360011 0.77 GPR35 (0.74) GPR35ERN1CA12CA1CA2
SCHEMBL7737429 0.76 ERN1 (0.62) GPR35ERN1CA12CA1CA2
SCHEMBL9187475 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1CYP1A2MAPT
SCHEMBL20476508 0.75 CYP19A1 (0.43) ALDH1A1KDM4EMEN1CYP1A2MAPT
SCHEMBL8329477 0.74 GPR35 (0.66) GPR35ERN1CA12CA1CA2
SCHEMBL4468567 0.74 MAPT (0.53) GPR35ERN1CA12CA1CA2

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 GPR35 1779/4885ERN1 1988/4885CA12 313/4885
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 GPR35 1728/4885ERN1 2113/4885CA12 243/4885
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES CCR1, SSB, C5 GPR35 619/4885ERN1 1939/4885CA12 198/4885
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 GPR35 619/4885ERN1 1939/4885CA12 198/4885

“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.