SCHEMBL9756940

SCHEMBL9756940

O=C(O)/C=C/c1cc(Br)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL9756942 1.00 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1
SCHEMBL16065072 0.80 TTR (0.43) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1
SCHEMBL13964557 0.79 ITGB2 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTHDAC3
SCHEMBL18989990 0.79 NPSR1 (0.50) KDM4EALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL2956488 0.79 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL2956493 0.79 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL18989993 0.79 NPSR1 (0.50) KDM4EALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL17157828 0.78 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1
SCHEMBL17157827 0.78 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1
SCHEMBL17157735 0.78 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
US-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 US disclosed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 US disclosed
WO-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 WO disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 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 (4 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-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME NR1H3, NR1H2, NR1H4 KDM4E 2018/4885ALDH1A1 2370/4885SMN1; SMN2 4844/4885
US-20170008859-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN KDM4E 3451/4885ALDH1A1 854/4885SMN1; SMN2 1244/4885
US-20180141921-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN KDM4E 3451/4885ALDH1A1 854/4885SMN1; SMN2 1244/4885
US-10005741-B2 Therapeutic compounds IAPP, PARK7, NLN KDM4E 3451/4885ALDH1A1 854/4885SMN1; SMN2 1244/4885

“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.