SCHEMBL20157580

SCHEMBL20157580

CCSCc1ccc(C(=O)c2ccc(F)cc2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CHRNA7 P36544 1/20 0.36
TP53 P04637 3/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
RXRA P19793 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CASP3 P42574 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL20157770 0.87 ALDH1A1 (0.36) GAAALDH1A1TP53KMT2AMAPT
SCHEMBL20157814 0.87 KMT2A (0.41) LMNAGAAALDH1A1KMT2AMAPT
SCHEMBL20157757 0.86 LMNA (0.50) LMNAGAAALDH1A1CHRNA7KMT2A
SCHEMBL20157570 0.86 CES2 (0.41) GAAALDH1A1KMT2AHTTCES2
SCHEMBL20157516 0.85 ALDH1A1 (0.48) LMNAGAAALDH1A1CHRNA7TP53
SCHEMBL21362565 0.85 MAPT (0.36) LMNAGAAALDH1A1TP53KMT2A
SCHEMBL20157918 0.85 MAPT (0.48) LMNAGAAALDH1A1KMT2AMAPT
SCHEMBL21362184 0.84 CCR9 (0.42) LMNAALDH1A1KMT2ATDP1MAPT
SCHEMBL21564973 0.83 CCNB2 (0.33) GAAALDH1A1TP53KMT2AHTT
SCHEMBL20157553 0.83 POLB (0.36) LMNAGAAALDH1A1CHRNA7THRB

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 3 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
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 LMNA 2333/4885GAA 4852/4885ALDH1A1 4457/4885

“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.