SCHEMBL16201684

SCHEMBL16201684

O=C1CCCn2c1c(Br)c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CFTR P13569 1/20 0.42
ALOX15 P16050 1/20 0.42
ACHE P22303 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GOPC Q9HD26 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
PABPC1 P11940 1/20 0.40
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38

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
SCHEMBL18202213 0.90 PABPC1 (0.49) CDK5CDK5R1KDM4EUSP2ALDH1A1
SCHEMBL10725922 0.81 KDM4E (0.54) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL30148834 0.76 KDM4E (0.38) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL28922877 0.76 KDM4E (0.38) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL7384938 0.75 MTNR1A (0.41) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL9471252 0.74 MTNR1A (0.46) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL28840719 0.74 TERT (0.47) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL28840783 0.72 TP53 (0.40) KDM4EUSP2ALDH1A1CYP1A2BCHE
SCHEMBL18202181 0.70 PABPC1 (0.49) CDK5CDK5R1KDM4EALDH1A1TP53
SCHEMBL9844706 0.70 KDM4E (0.60) KDM4ETP53CREBBPPABPC1MTNR1A

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 CDK5 70/4885CDK5R1 85/4885KDM4E 1948/4885

“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.