SCHEMBL920498

SCHEMBL920498

CCCC[CH]c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.41
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
G6PC1 P35575 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
SCHEMBL918956 0.94 GAA (0.49) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL7022574 0.92 GAA (0.48) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL11211411 0.92 GAA (0.48) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL28135662 0.92 GAA (0.48) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL499133 0.88
SCHEMBL3688382 0.81 MAPT (0.51) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL20634195 0.81 MAPT (0.51) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL21392011 0.81 MAPT (0.51) GAALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL269528 0.81
2-Thiophenenecarboxaldehyde SCHEMBL27772563 0.76 MAPT (0.50) GAALMNAALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093408-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-09-23 CN disclosed
CN-114401965-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-04-26 CN disclosed
CN-114206897-A Convergent liquid phase synthesis of oligonucleotides 比奥根MA公司 2022-03-18 CN disclosed
CN-108834415-B Substituted tricyclic 1, 4-benzodiazepine derivatives as allosteric modulators of group II metabotropic glutamate receptors 多曼治疗学公司 2021-12-24 CN disclosed
CN-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 CN disclosed
CN-112105359-A Pyrrolo [2,3-b ] pyrazine compounds as cccDNA inhibitors for the treatment of Hepatitis B Virus (HBV) infection 豪夫迈·罗氏有限公司 2020-12-18 CN disclosed
CN-107922423-B Nitrogen-containing tricyclic derivatives having HIV replication inhibiting effect 盐野义制药株式会社 2020-10-27 CN disclosed
CN-111138458-A Nitrogen-containing tricyclic derivatives having HIV replication inhibiting effect 盐野义制药株式会社 2020-05-12 CN disclosed
CN-110769830-A Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors 马瓦隆治疗有限公司 2020-02-07 CN disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
CN-100363363-C Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2008-01-23 CN disclosed
CN-1675206-A Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2005-09-28 CN disclosed
EP-1334092-A4 PROCESS FOR PREPARATION OF BICYCLIC AND POLYCYCLIC MOLECULES UNIV MONASH (AU) 2004-08-11 EP disclosed
EP-1334092-A1 PROCESS FOR PREPARATION OF BICYCLIC AND POLYCYCLIC MOLECULES Monash University (AU) 2003-08-13 EP disclosed
WO-2002034736-A1 PROCESS FOR PREPARATION OF BICYCLIC AND POLYCYCLIC MOLECULES MONASH UNIVERSITY (AU) 2002-05-02 WO disclosed
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 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 (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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX GAA 920/4885LMNA 3240/4885ALDH1A1 3801/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GAA 2649/4885LMNA 3681/4885ALDH1A1 4326/4885

“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.