SCHEMBL3772640

SCHEMBL3772640

O=C(C=CC1=CCC(O)(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
BCHE P06276 1/20 0.48
P4HB P07237 2/20 0.46
CYP1B1 Q16678 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
MAOA P21397 4/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 3/20 0.39
CA4 P22748 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 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
SCHEMBL27840729 0.91 MAPT (0.47) MAOBBCHEP4HBCYP1B1GAA
SCHEMBL5324147 0.90 MAPT (0.38) MAOBBCHEP4HBCYP1B1NPC1
SCHEMBL27840781 0.88 KMT2A (0.42) MAOBBCHEP4HBCYP1B1RAB9A
SCHEMBL27821480 0.87 KMT2A (0.42) MAOBBCHEP4HBCYP1B1GAA
SCHEMBL27869381 0.87 ALDH1A1 (0.43) CYP1B1NPC1GAAHTTRAB9A
SCHEMBL27821481 0.86 MAOB (0.46) MAOBBCHEL3MBTL1NPC1GAA
SCHEMBL27840910 0.81 POLB (0.38) MAOBBCHEP4HBCYP1B1CA2
SCHEMBL3891559 0.80 KAT6A (0.41) MAOBBCHECYP1B1MAPT
SCHEMBL28053743 0.80 MAPT (0.36) MAOBBCHECYP1B1NPC1RAB9A
SCHEMBL27840804 0.80 MAPT (0.35) MAOBBCHECYP1B1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102199113-A Method for screening anti-cancer compounds inhibiting function of TM4SF5 and anti-cancer composition containing chalcone compounds SNU R&DB FOUNDATION 2011-09-28 CN claimed
US-20090252694-A1 Novel Chalcone Derivatives, Pharmaceutically Acceptable Salt, Method for Preparation and Uses Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSTIY (KR) 2009-10-08 US claimed
WO-2007114532-A1 NOVEL CHALCONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT, METHOD FOR PREPARATION AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2007-10-11 WO claimed
CN-101528210-B Method for screening anticancer compound inhibiting TM4SF5 function and anticancer composition containing chalcone compound SEOUL NAT UNIV IND FOUNDATION 2012-05-23 CN disclosed
CN-102199113-A Method for screening anti-cancer compounds inhibiting function of TM4SF5 and anti-cancer composition containing chalcone compounds SNU R&DB FOUNDATION 2011-09-28 CN disclosed
US-7851654-B2 Chalcone derivatives, pharmaceutically acceptable salt, method for preparation and uses thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2010-12-14 US disclosed
US-20090252694-A1 Novel Chalcone Derivatives, Pharmaceutically Acceptable Salt, Method for Preparation and Uses Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSTIY (KR) 2009-10-08 US disclosed
WO-2007114532-A1 NOVEL CHALCONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT, METHOD FOR PREPARATION AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2007-10-11 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 (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-20090252694-A1 Novel Chalcone Derivatives, Pharmaceutically Acceptable Salt, Method for Preparation and Uses Thereof TYR, CYP21A2, CMA1 MAOB 188/4885BCHE 375/4885P4HB 582/4885

“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.