SCHEMBL3252192

SCHEMBL3252192

COc1cccc(-c2ccccc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
PTGS1 P23219 2/20 0.48
ADRA2B P18089 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK3 P27361 2/20 0.47
MAPK1 P28482 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
GMNN O75496 1/20 0.47
RAF1 P04049 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL29634473 1.00 ALDH1A1 (0.48) ALDH1A1PTGS1ADRA2BTDP1NPC1
SCHEMBL3786504 0.86 FYN (0.45) ALDH1A1PTGS1ADRA2BTDP1NPC1
SCHEMBL2212731 0.85 ALDH1A1 (0.52) ALDH1A1PTGS1ADRA2BTDP1NPC1
SCHEMBL31607623 0.85 ALDH1A1 (0.52) ALDH1A1PTGS1ADRA2BTDP1NPC1
SCHEMBL27938882 0.85 ABL1 (0.50) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL28929369 0.84 ALDH1A1 (0.43) ALDH1A1PTGS1ADRA2BTDP1NPC1
SCHEMBL4965451 0.83 NCOA1 (0.53) ALDH1A1TDP1RAB9AMAPK1MAPT
SCHEMBL3790127 0.83 FYN (0.50) ALDH1A1PTGS1ADRA2BNPC1RAB9A
SCHEMBL28184418 0.82 CYP3A4 (0.54) ALDH1A1MAPTKMT2ACYP1A2CYP3A4
Methylamine SCHEMBL28363123 0.81 ALDH1A1 (0.55) ALDH1A1PTGS1ADRA2BTDP1NPC1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101040028-B Photocrosslinkable materials ROLIC AG 2012-03-28 CN claimed
CN-101040028-A Photocrosslinkable materials ROLIC AG (CH) 2007-09-19 CN claimed
US-11555012-B2 ACLY inhibitors and uses thereof Nimbus Artemis, Inc. (US) 2023-01-17 US disclosed
CN-110627721-B Phenanthridine compound and synthesis method thereof 陕西科技大学 2022-06-14 CN disclosed
CN-110128570-B Dendritic photosensitizer containing benzidine-based fragment, synthetic method and application 郑州工程技术学院 2021-06-15 CN disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
CN-110627721-A Phenanthridine compound and synthesis method thereof 陕西科技大学 2019-12-31 CN disclosed
CN-105017302-B Bis- (S, S- dioxo-dibenzothiophenes) and 5-membered ring compounds and the preparation method and application thereof 华南理工大学 2019-06-18 CN disclosed
CN-109804306-A Light orientation copolymer material 罗利克技术有限公司 2019-05-24 CN disclosed
CN-108912011-A Light arrangement material 罗立克科技股份公司 2018-11-30 CN disclosed
US-7396958-B2 Sulphonamide derivatives, their preparation and their therapeutic application SANOFI AVENTIS (FR) 2008-07-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-101090892-A Sulfonamide derivatives, process for their preparation and their therapeutic use SANOFI AVENTIS (FR) 2007-12-19 CN disclosed
CN-101040028-A Photocrosslinkable materials ROLIC AG (CH) 2007-09-19 CN disclosed
US-20070185136-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
EP-1776347-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2007-04-25 EP disclosed
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices HIROSE ENGINEERING CO., LTD. (JP) 2006-07-13 US disclosed
EP-1650208-A1 WHITE-EMITTING COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND WHITE-EMITTING DEVICES HIROSE ENGINEERING CO., LTD. (JP) 2006-04-26 EP disclosed
WO-2006024779-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2006-03-09 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 (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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ALDH1A1 1455/4885PTGS1 3863/4885ADRA2B 4461/4885
US-11555012-B2 ACLY inhibitors and uses thereof ACLY, ATP5ME, ATP5MG ALDH1A1 1455/4885PTGS1 3863/4885ADRA2B 4461/4885
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices IWS1, WNT1, CYP1A1 ALDH1A1 39/4885PTGS1 1266/4885ADRA2B 1732/4885
US-20070185136-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HCRTR2, GIPR, SSTR2 ALDH1A1 2179/4885PTGS1 4726/4885ADRA2B 286/4885

“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.