SCHEMBL3584889

SCHEMBL3584889

C[CH]c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.61
HTR3A P46098 1/20 0.50
AGXT P21549 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
PTK2B Q14289 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL23048845 0.86 ADRA2C (0.57) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL23916588 0.86 ADRA2C (0.61) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL1444185 0.84 ALDH1A1 (0.64) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL29442412 0.84 ALDH1A1 (0.64) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL1559226 0.78 ADRA2C (0.65) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL28199225 0.78 ADRA2C (0.46) ADRA2CALDH1A1HDAC3HDAC4HDAC1
SCHEMBL26423291 0.78 ADRA2C (0.65) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL3593153 0.77 ALDH1A1 (0.69) ADRA2CHTR3AALDH1A1HDAC3HDAC4
SCHEMBL30468954 0.76 ADRA2C (0.62) ADRA2CHTR3AAGXTALDH1A1HDAC3
SCHEMBL29053019 0.76 ADRA2C (0.62) ADRA2CHTR3AAGXTALDH1A1HDAC3

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
CN-101448802-B Acrylamide derivative as histone deacetylase inhibitors for cancer treatment DAC SRL 2012-11-07 CN disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN ADRA2C 3317/4885HTR3A 3666/4885AGXT 4353/4885

“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.