SCHEMBL6017273

SCHEMBL6017273

CNCCCNc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
MAPT P10636 1/20 0.77
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR2A P28223 2/20 0.50
HRH1 P35367 2/20 0.50
HTR1B P28222 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
TAAR1 Q96RJ0 2/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
CACNA1B Q00975 1/20 0.42
HTR1D P28221 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL18730913 0.93 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2065279 0.88 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1TSHRHRH3
SCHEMBL1354067 0.86 MAPT (0.61) ALDH1A1MAPTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL3634998 0.85 ALDH1A1 (0.94) ALDH1A1MAPTL3MBTL1HRH3
Hydrochloric Acid SCHEMBL25404814 0.84 MAPT (0.58) ALDH1A1MAPTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL29727944 0.83 ALDH1A1 (0.90) ALDH1A1MAPTL3MBTL1HRH3
SCHEMBL4970157 0.83 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HRH3
SCHEMBL5139921 0.81 ALDH1A1 (0.85) ALDH1A1MAPTL3MBTL1SIGMAR1
SCHEMBL6439421 0.80 MAPT (0.50) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11759173 0.80 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978525-A Light-activated labeled RNA photosensitizer based on phenothiazine, and preparation method and application thereof 大连理工大学宁波研究院 2024-11-19 CN claimed
CN-118978525-A Light-activated labeled RNA photosensitizer based on phenothiazine, and preparation method and application thereof 大连理工大学宁波研究院 2024-11-19 CN disclosed
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
US-6348595-B1 PERYLENE-3,4,9,10-TETRACARBOXIMIDE IS HYDROXYMETHYLATED BY REACTION WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL) PERYLENE-3,4,9,10-TETRACARBOXIMIDE; ONE POT PROCESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-19 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-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 ALDH1A1 3755/4885MAPT 3860/4885L3MBTL1 963/4885

“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.