SCHEMBL510256

SCHEMBL510256

O=Cc1ccc(COc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
MAOA P21397 4/20 0.67
MAOB P27338 4/20 0.67
APP P05067 1/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
BCHE P06276 1/20 0.55
FFAR1 O14842 1/20 0.54
LCK P06239 1/20 0.54
GSK3B P49841 1/20 0.53
BACE1 P56817 1/20 0.53
MAPT P10636 1/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51

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
SCHEMBL865349 0.94 RAB9A (0.71) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL158270 0.92 RAB9A (0.68) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL23223734 0.90 RAB9A (0.69) RAB9AMAOAMAOBAPPALDH1A1
SCHEMBL11614936 0.90 RAB9A (0.69) RAB9AMAOAMAOBAPPALDH1A1
SCHEMBL1300116 0.90 RAB9A (0.65) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL6187222 0.87 RAB9A (0.62) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL1222314 0.87 RAB9A (0.62) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL1164139 0.87 MAOB (0.74) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL1554529 0.86 RAB9A (0.60) RAB9AMAOAMAOBALDH1A1KDM4E
SCHEMBL8806830 0.85 RAB9A (0.60) RAB9AMAOAMAOBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002649-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-01-07 US claimed
EP-3506911-A1 COMPOSITIONS AND METHODS FOR TREATNG CANCER Beth Israel Deaconess Medical Center, Inc. (US) 2019-07-10 EP claimed
WO-2018044875-A1 COMPOSITIONS AND METHODS FOR TREATNG CANCER BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2018-03-08 WO claimed
US-4380629-A Styryl-like compounds showing a color-developing and bleaching behavior with improved stability and prolonged lifetime MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) 1983-04-19 US claimed
US-20210002649-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-01-07 US disclosed
US-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
EP-3506911-A1 COMPOSITIONS AND METHODS FOR TREATNG CANCER Beth Israel Deaconess Medical Center, Inc. (US) 2019-07-10 EP disclosed
EP-2505576-B1 CYCLIC COMPOUND, PROCESS FOR PRODUCTION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND RESIST PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-24 EP disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 US disclosed
WO-2018044875-A1 COMPOSITIONS AND METHODS FOR TREATNG CANCER BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2018-03-08 WO disclosed
US-9856252-B2 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-01-02 US disclosed
EP-2958898-B1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2017-07-19 EP disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20060135613-A1 Carboxamides derivatives BAYER HEALTHCARE AG (DE) 2006-06-22 US disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
EP-1515942-A1 CARBOXAMIDES DERIVATIVES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
WO-2003106403-A1 CARBOXAMIDES DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-12-24 WO disclosed
US-5399575-A Antiallergens BOEHRINGER MANNHEIM GMBH (DE) 1995-03-21 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 (6 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-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 RAB9A 375/4885MAOA 3068/4885MAOB 2096/4885
US-20060135613-A1 Carboxamides derivatives BPHL, HRH2, HRH4 RAB9A 3596/4885MAOA 2379/4885MAOB 2795/4885
US-20210002649-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PDCD1, PDCD1LG2, CD274 RAB9A 2800/4885MAOA 3936/4885MAOB 4161/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 RAB9A 3912/4885MAOA 940/4885MAOB 690/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 RAB9A 375/4885MAOA 3068/4885MAOB 2096/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 RAB9A 2595/4885MAOA 1244/4885MAOB 1016/4885

“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.