SCHEMBL3606102

SCHEMBL3606102

Nc1cccc2c1CC(N1CCCC1)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CRBN Q96SW2 5/20 0.40
DDB1 Q16531 4/20 0.40
TNF P01375 2/20 0.40
IL1B P01584 2/20 0.40
IKZF1 Q13422 2/20 0.40
IKZF3 Q9UKT9 2/20 0.40
BRD4 O60885 1/20 0.40
RAB9A P51151 1/20 0.38
TBXA2R P21731 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL3605689 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL3589421 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3596741 0.89 CRBN (0.41) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3590903 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3587498 0.88 DRD2 (0.43) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL3587351 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3594551 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3592826 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3593131 0.83 KDM4E (0.38) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3605687 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTTSHR

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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885KDM4E 2284/4885GAA 4641/4885

“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.