SCHEMBL1432508

SCHEMBL1432508

CC(=O)N1CCN(c2cnc(Br)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.51
SKP1 P63208 1/20 0.51
SKP2 Q13309 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AOC3 Q16853 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SMO Q99835 2/20 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
SCHEMBL8291820 0.85 AKR1C3 (0.43) CKS1BSKP1SKP2ALDH1A1HSD17B10
SCHEMBL20804678 0.83 CKS1B (0.54) CKS1BSKP1SKP2ALDH1A1HSD17B10
SCHEMBL30376692 0.80 CKS1B (0.57) CKS1BSKP1SKP2ALDH1A1MAP4K4
SCHEMBL3294544 0.80 CKS1B (0.57) CKS1BSKP1SKP2ALDH1A1MAP4K4
SCHEMBL30434376 0.79 AKR1C3 (0.66) CKS1BSKP1SKP2ALDH1A1HSD17B10
SCHEMBL1433065 0.79 AKR1C3 (0.66) CKS1BSKP1SKP2ALDH1A1HSD17B10
SCHEMBL420087 0.78 HRH4 (0.49) MET
SCHEMBL21768430 0.77 SMO (0.54) CKS1BSKP1SKP2ALDH1A1HSD17B10
SCHEMBL1433299 0.76 CHRNB2 (0.55) AOC3HDAC3HDAC4HDAC1HDAC7
SCHEMBL29741992 0.76 SMN1; SMN2 (0.47) ALDH1A1HSD17B10GAASMOHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 CN disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 EP disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO 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 (2 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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 CKS1B 4194/4885SKP1 452/4885SKP2 568/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 CKS1B 4194/4885SKP1 452/4885SKP2 568/4885

“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.