SCHEMBL19999997

SCHEMBL19999997

C1=CC2=Nc3ccccc3NC2C=C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3616173 0.78 MEN1 (0.34) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL424369 0.68
SCHEMBL1979240 0.68
SCHEMBL705729 0.68
Hydrochloric Acid SCHEMBL4661161 0.67
SCHEMBL1670886 0.66 NOS1 (0.33)
SCHEMBL29383163 0.66 NOS1 (0.33)
SCHEMBL17306807 0.66 NOS2 (0.39) KDM4EALDH1A1
SCHEMBL15624375 0.66 NOS2 (0.35) KDM4EMEN1KMT2AALDH1A1
SCHEMBL23612581 0.64 MAPT (0.33) RAB9AMAPTKDM4EMEN1GAA

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
WO-2021057009-A1 N-HETEROCYCLIC PLANAR OPTICAL COUPLING OUTPUT MATERIAL AND PREPARATION METHOD THEREFOR 武汉华星光电半导体显示技术有限公司 2021-04-01 WO disclosed
US-20180085744-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES UNITED STATES DEPARTMENT OF ENERGY 2018-03-29 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-20180085744-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES ALG1, MLEC, MSN RAB9A 3148/4885MAPT 3564/4885KDM4E 3661/4885

“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.