SCHEMBL3202085

SCHEMBL3202085

OCCN(CCO)c1ccc(NCl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
BACE1 P56817 3/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL6243535 0.82 MAPT (0.44) KMT2AMAPTMEN1BACE1LMNA
Hydrochloric Acid SCHEMBL8038931 0.79 MAPT (0.43) KMT2AMAPTMEN1BACE1LMNA
SCHEMBL10105249 0.79 ALDH1A1 (0.39) KMT2AMAPTMEN1BACE1LMNA
SCHEMBL4408209 0.79 ALDH1A1 (0.39) KMT2AMAPTMEN1BACE1LMNA
SCHEMBL9022771 0.78 ALDH1A1 (0.53) KMT2AMAPTMEN1BACE1LMNA
SCHEMBL11682442 0.76 ALDH1A1 (0.50) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL1234089 0.76 KMT2A (0.57) KMT2AMAPTMEN1BACE1LMNA
SCHEMBL2006984 0.75 KMT2A (0.41) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL10134048 0.75 ALDH1A1 (0.42) KMT2AMAPTMEN1BACE1LMNA
SCHEMBL9490421 0.75 ALDH1A1 (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2

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-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 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-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 KMT2A 1767/4885MAPT 446/4885MEN1 3588/4885

“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.