SCHEMBL21352045

SCHEMBL21352045

COc1ccc(CNc2cc(Br)c(C(O)c3ccc(F)cc3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ATM Q13315 2/20 0.44
▸ ADRB2 P07550 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ APLNR P35414 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 2/20 0.40

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 0.85 APLNR (0.41) LMNAMAPK1MEN1KMT2AGAA
SCHEMBL20157922 0.78 MEN1 (0.41) LMNAMAPK1MEN1KMT2AGAA
SCHEMBL11857823 0.76 APLNR (0.44) LMNAMEN1KMT2AGAAAPLNR
SCHEMBL21352224 0.76 MEN1 (0.46) LMNAMEN1KMT2AADRB2GAA
SCHEMBL31726497 0.75 MEN1 (0.48) GPR35LMNAMEN1KMT2AADRB2
SCHEMBL20157585 0.74 LMNA (0.45) LMNAMAPK1MEN1KMT2AGAA
SCHEMBL21550210 0.72 MEN1 (0.39) LMNAMAPK1MEN1KMT2AGAA
SCHEMBL25750701 0.71 FFAR1 (0.52) GPR35LMNAMITFCNR1CNR2
SCHEMBL21362021 0.71 ACHE (0.38) LMNAMAPK1HTTGAARAB9A
SCHEMBL31726272 0.70 KMT2A (0.54) LMNAMAPK1MEN1KMT2AGAA

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 2 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
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

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 GPR35 2557/4885LMNA 2333/4885MITF 449/4885

“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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