SCHEMBL22966261

SCHEMBL22966261

COc1cccc(Oc2cc(C(=O)OC(C)C)c([N+](=O)[O-])cc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TBXA2R P21731 1/20 0.41
PIN1 Q13526 1/20 0.41
MAPT P10636 3/20 0.40
PAX8 Q06710 1/20 0.40
FBP1 P09467 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23086263 0.90 MAPT (0.42) SMN1; SMN2RAB9AKDM4EPOLBALDH1A1
SCHEMBL22966231 0.88 MAPT (0.43) SMN1; SMN2RAB9AALDH1A1TDP1CRHBP
SCHEMBL22966235 0.88 MAPT (0.46) SMN1; SMN2KDM4EPOLBALDH1A1TDP1
SCHEMBL22966220 0.84 L3MBTL1 (0.51) SMN1; SMN2RAB9AKDM4EPOLBALDH1A1
SCHEMBL22966186 0.83 HSPB1 (0.47) SMN1; SMN2RAB9AALDH1A1TDP1CRHBP
SCHEMBL22966233 0.82 TDP1 (0.48) SMN1; SMN2POLBALDH1A1TDP1CRHBP
SCHEMBL22966278 0.82 SMN1; SMN2 (0.42) SMN1; SMN2RAB9APOLBALDH1A1TDP1
SCHEMBL22966284 0.82 KDM4E (0.46) SMN1; SMN2KDM4EPOLBALDH1A1MAPT
SCHEMBL1679943 0.81 KMT2A (0.40) SMN1; SMN2ALDH1A1TDP1CRHBPCRHR2
SCHEMBL28701917 0.80 MERTK (0.48) SMN1; SMN2RAB9AALDH1A1TDP1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF Dongguan HEC Pesticides R&D Co., Ltd. (CN) 2021-02-11 US 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-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF NQO2, RDX, RIN1 SMN1; SMN2 2216/4885RAB9A 73/4885KDM4E 2863/4885

“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.