SCHEMBL3424508

SCHEMBL3424508

Cc1cc(C)nc(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
GRM5 P41594 5/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
GCK P35557 1/20 0.59
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL15045375 0.87 GRM5 (0.76) GRM5NPC1RAB9AKCNK3KCNK9
SCHEMBL3362301 0.84 CHRNB2 (0.64) ALDH1A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL16431044 0.84 GRM5 (0.59) ALDH1A1GRM5NPC1RAB9AGCK
SCHEMBL4495742 0.81 GRM5 (0.59) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14097068 0.80 LCK (0.66) ALDH1A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL10090736 0.79 KMT2A (0.70) ALDH1A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL8660822 0.77 CHRNB2 (0.63) ALDH1A1GRM5NPC1RAB9AKCNK3
SCHEMBL10808813 0.76 SMN1; SMN2 (0.60) ALDH1A1GRM5NPC1RAB9AKCNK3
SCHEMBL12549321 0.76 LCK (0.60) ALDH1A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL821848 0.76 MEN1 (0.68) GRM5NPC1RAB9AKCNK3KCNK9

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
CN-113150463-B Polymer composite shape-stabilized phase change material and preparation method thereof 华南理工大学 2022-12-16 CN claimed
CN-110846130-B Removal of unwanted components from oil compositions 巴斯夫股份公司 2024-07-19 CN disclosed
CN-115463681-B Pd-La (OH) loaded on carbon material3Nanometer catalyst and preparation method and application thereof 江西师范大学 2024-06-14 CN disclosed
CN-116589738-A High-filling waste printed circuit board nonmetal powder polymer composite material with phase change characteristic and preparation method thereof 华南理工大学 2023-08-15 CN disclosed
CN-113150463-B Polymer composite shape-stabilized phase change material and preparation method thereof 华南理工大学 2022-12-16 CN disclosed
CN-115463681-A Carbon material loaded Pd-La (OH) 3 Nano catalyst and preparation method and application thereof 江西师范大学 2022-12-13 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A ALDH1A1 2240/4885GRM5 1731/4885NPC1 2020/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 ALDH1A1 785/4885GRM5 4448/4885NPC1 1535/4885

“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.