SCHEMBL21488100

SCHEMBL21488100

FC(F)(Br)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ MAPT P10636 4/20 0.47
▸ PSMB8 P28062 1/20 0.44
▸ ELANE P08246 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL1553499 0.86 ELANE (0.58) NPC1RAB9AMAPTPSMB8ELANE
SCHEMBL5720494 0.83 NPC1 (0.50) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL1554271 0.82 NPC1 (0.46) NPC1RAB9AMAPTPSMB8ELANE
SCHEMBL21488211 0.82 ELANE (0.46) NPC1RAB9AMAPTPSMB8ELANE
SCHEMBL3913461 0.79 NPC1 (0.50) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL1792867 0.78 ELANE (0.58) NPC1RAB9AMAPTPSMB8ELANE
SCHEMBL23207497 0.76 MAPT (0.47) NPC1RAB9AMAPTPSMB8ELANE
SCHEMBL29639834 0.76 MAPT (0.47) NPC1RAB9AMAPTPSMB8ELANE
SCHEMBL30524315 0.76 XDH (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL34471230 0.74 MAPT (0.46) NPC1RAB9AMAPTPSMB8ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588807-B Alkene compound containing gem-difluoromethylene and preparation method thereof 上海大学 2020-04-03 — — CN claimed
CN-106749214-B Compound containing 1, 3-benzoxazole difluoromethylene indolone and preparation method thereof 上海大学 2020-01-17 — — CN claimed
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-116621791-B Fluorine-containing benzoxazole compound and synthesis method thereof 上海大学 2025-02-25 — — CN disclosed
CN-116621791-A Fluorine-containing benzoxazole compound and synthesis method thereof 上海大学 2023-08-22 — — CN 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
CN-106588807-B Alkene compound containing gem-difluoromethylene and preparation method thereof 上海大学 2020-04-03 — — CN disclosed
CN-106588807-B Alkene compound containing gem-difluoromethylene and preparation method thereof 上海大学 2020-04-03 — — CN disclosed
CN-106749214-B Compound containing 1, 3-benzoxazole difluoromethylene indolone and preparation method thereof 上海大学 2020-01-17 — — CN disclosed
CN-106749214-B Compound containing 1, 3-benzoxazole difluoromethylene indolone and preparation method thereof 上海大学 2020-01-17 — — CN 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
CN-102180841-B 2-bromodifluoromethyl substituted 1,3-oxazoline compound and synthesis method thereof UNIV SHANGHAI 2013-01-09 — — CN disclosed
CN-102180841-A 2-bromodifluoromethyl substituted 1,3-oxazoline compound and synthesis method thereof UNIV SHANGHAI 2011-09-14 — — CN 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 NPC1 319/4885RAB9A 797/4885MAPT 3939/4885
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 NPC1 291/4885RAB9A 907/4885MAPT 3178/4885
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES CCR1, SSB, C5 NPC1 3329/4885RAB9A 2786/4885MAPT 4782/4885
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 NPC1 3329/4885RAB9A 2786/4885MAPT 4782/4885

“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.

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