SCHEMBL20157922

SCHEMBL20157922

COc1ccc(CNc2cc(Br)c(C(O)c3ccc(Cl)cc3)cc2F)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ APLNR P35414 1/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ GAA P10253 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36

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
SCHEMBL20157651 0.92 APLNR (0.41) MEN1KMT2AMAPTAPLNRKDM4C
SCHEMBL21550210 0.85 MEN1 (0.39) MEN1KMT2AMAPTAPLNRKDM4C
SCHEMBL20157981 0.79 POLB (0.50) MEN1KMT2AMAPTKDM4EAPLNR
SCHEMBL21352045 0.78 GPR35 (0.45) MEN1KMT2AMAPTAPLNRGAA
SCHEMBL20157455 0.77 APLNR (0.49) MEN1KMT2AMAPTAPLNRKDM4C
SCHEMBL21362495 0.77 APLNR (0.51) MEN1KMT2AMAPTAPLNRKDM4C
SCHEMBL20157358 0.74 KDM4C (0.60) MEN1KMT2AMAPTKDM4EAPLNR
SCHEMBL20157650 0.74 APLNR (0.51) MEN1KMT2AMAPTAPLNRKDM4C
SCHEMBL31185318 0.74 APLNR (0.50) MEN1KMT2AMAPTKDM4EAPLNR
SCHEMBL21351883 0.74 KDM4C (0.51) MEN1KMT2AMAPTKDM4EAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 — — US disclosed
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 — — US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 — — EP disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 — — EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 — — 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 MEN1 1304/4885KMT2A 1082/4885MAPT 237/4885

“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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