SCHEMBL2428046

SCHEMBL2428046

N#CC1(N)C=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.34
MAOA P21397 12/20 0.34
MAOB P27338 12/20 0.34
CUL4A Q13619 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
YWHAG P61981 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32

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
SCHEMBL1532971 0.78 ALDH1A1 (0.33) KDM1ACUL4AALDH1A1HPGDLMNA
SCHEMBL1074533 0.77 KDM1A (0.40) KDM1AMAOAMAOBLMNAHTR2A
Methane SCHEMBL16507862 0.75 KDM1A (0.39) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL4794111 0.74 KDM1A (0.38) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL5526874 0.74 KDM1A (0.38) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL6496498 0.74 HTR2A (0.42) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL16486982 0.73 ALDH1A1 (0.35) ALDH1A1HPGDLMNAKDM4EMEN1
SCHEMBL3480926 0.73 KDM1A (0.35) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL8407466 0.73 HTR2A (0.33) KDM1AHTR2AHTR2CHTR2B
SCHEMBL727295 0.72 CUL4A (0.30) CUL4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8294974-B2 Electrochromic material and electrochromic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-23 US disclosed
US-20110235150-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-09-29 US disclosed
CN-101855203-A F1F0Inhibitors of ATP synthase and related methods UNIV MICHIGAN 2010-10-06 CN disclosed
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO disclosed
US-5239013-A Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-24 US disclosed
US-5216084-A Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-06-01 US disclosed
EP-0394027-A2 Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-10-24 EP disclosed
US-4952640-A Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING CO. (US) 1990-08-28 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 (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-20110235150-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME EPN1, RPS3A, RPS10 KDM1A 284/4885MAOA 1252/4885MAOB 1085/4885
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 KDM1A 439/4885MAOA 224/4885MAOB 277/4885

“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.