SCHEMBL18548898

SCHEMBL18548898

COC(=O)c1c(C)n(C)c2ccc(Br)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ELANE P08246 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 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
SCHEMBL18548900 0.87 LMNA (0.58) MAPTKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL18548838 0.86 KDM4E (0.50) MAPTKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL18548810 0.82 SMN1; SMN2 (0.47) MAPTKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL18548808 0.81 AXL (0.43) MAPTKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL19086606 0.78 ALDH1A1 (0.57) NPC1KMT2ASMN1; SMN2ALDH1A1ELANE
SCHEMBL21954439 0.77 MEN1 (0.57) MAPTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL21954348 0.77 ALDH1A1 (0.63) MAPTKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL17210828 0.75 L3MBTL1 (0.50) MAPTLMNASMN1; SMN2ALDH1A1ELANE
SCHEMBL14479468 0.74 MAPK8 (0.48) NPC1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL5238204 0.73 SMN1; SMN2 (0.52) MAPTKMT2APOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473434-B Substituted quinolone derivative or pharmaceutically acceptable salt or stereoisomer thereof, and medicinal composition and application thereof 上海海和药物研究开发股份有限公司 2021-11-23 CN disclosed
EP-3339294-B1 QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER THEREOF AS AXL INHIBIOTOR SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-04-14 EP disclosed
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-20180265496-A1 SUBSTITUTED QUINOLONE DERIVATIVES, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR STEREOISOMERS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND USE THEREOF JINAN UNIVERSITY (CN) 2018-09-20 US disclosed
CN-108473434-A Substituted quinolone analog derivative or its pharmaceutically acceptable salt or stereoisomer and its Pharmaceutical composition and application 暨南大学 2018-08-31 CN disclosed
EP-3339294-A1 PHARMACEUTICAL COMPOSITION AND APPLICATION REPLACING QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER Jinan University (CN) 2018-06-27 EP disclosed
WO-2017028797-A1 PHARMACEUTICAL COMPOSITION AND APPLICATION REPLACING QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER 暨南大学 2017-02-23 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 (2 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-20180265496-A1 SUBSTITUTED QUINOLONE DERIVATIVES, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR STEREOISOMERS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NRAS, AXL, ABL1 MAPT 4122/4885NPC1 3553/4885KMT2A 2601/4885
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof NRAS, AXL, ABL1 MAPT 4122/4885NPC1 3553/4885KMT2A 2601/4885

“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.