SCHEMBL11833

SCHEMBL11833

CCc1ccc2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP2A6 P11509 1/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CHKA P35790 2/20 0.51
ALOX15 P16050 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
Ammonia Solution, Strong SCHEMBL28864729 0.98 ALDH1A1 (0.56) ALDH1A1NPC1POLBRAB9ACYP1A2
Fluorobenzene SCHEMBL28256155 0.89 ALDH1A1 (0.47) ALDH1A1NPC1POLBRAB9ACYP1A2
SCHEMBL5528688 0.85 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL29903898 0.85 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL464410 0.85 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9ACYP1A2
Quinoline SCHEMBL27593158 0.84 CYP1A2 (0.59) ALDH1A1NPC1POLBRAB9ACYP1A2
SCHEMBL6115157 0.82 ALDH1A1 (0.51) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL29827516 0.82 ALDH1A1 (0.51) ALDH1A1NPC1POLBRAB9AHTT
Quinoline SCHEMBL28313280 0.82 ALDH1A1 (0.57) ALDH1A1NPC1POLBRAB9ACYP1A2
SCHEMBL12302926 0.81 NPC1 (0.50) ALDH1A1NPC1POLBRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
WO-2023196605-A1 INHIBITING HISTONE DEACETYLASE 6 (HDAC6) EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-0297804-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1989-01-04 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
US-4713316-A INFRARED SENSITIZING DYES, MOBILE DYE PRECURSORS, ALKALI, SILVER HALIDE EMULSION FUJI PHOTO FILM CO., LTD. (JP) 1987-12-15 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4047964-A BENZISOXAZOLE FUJI PHOTO FILM CO., LTD. (JA) 1977-09-13 US disclosed
US-3988155-A CYANINE SENSITIZING DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-10-26 US disclosed
US-3985563-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-10-12 US disclosed
US-3977883-A Spectrally sensitized silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-08-31 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 (7 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ALDH1A1 755/4885NPC1 2177/4885POLB 1374/4885
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 ALDH1A1 1973/4885NPC1 1857/4885POLB 3112/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 ALDH1A1 3407/4885NPC1 255/4885POLB 4781/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 ALDH1A1 980/4885NPC1 3167/4885POLB 1943/4885
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 ALDH1A1 3742/4885NPC1 1121/4885POLB 336/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B ALDH1A1 118/4885NPC1 1748/4885POLB 1639/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885NPC1 868/4885POLB 2269/4885

“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.