SCHEMBL18655576

SCHEMBL18655576

CCCn1c2ccc(Cl)cc2c2cc3ccccc3nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CASP1 P29466 3/20 0.52
▸ CASP7 P55210 3/20 0.52
▸ POLB P06746 3/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ HCRTR1 O43613 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL18655578 0.86 MAPT (0.53) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL18655577 0.85 MAPT (0.67) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL17274925 0.84 MAPT (0.54) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL17274876 0.84 MAPT (0.45) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL1921824 0.77 PSEN1 (0.57) MAPTMAPK1LMNAKDM4ERAB9A
SCHEMBL1921889 0.76 ALDH1A1 (0.60) MAPTL3MBTL1TDP1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9706065 0.75 MAPT (0.69) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL19271263 0.74 MAPT (0.65) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL27165249 0.73 TOP2A (0.56) MAPTL3MBTL1TDP1CYP1A2CASP1
SCHEMBL17274871 0.72 POLB (0.56) MAPTL3MBTL1TDP1CASP1CASP7

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-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 — — 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-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT AZI2, DNMT1, TET3 MAPT 3584/4885L3MBTL1 4845/4885TDP1 1327/4885

“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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