SCHEMBL977466

SCHEMBL977466

O=C(O)c1ccc(-c2nc3ccccc3o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
RAB9A P51151 6/20 0.69
HPGD P15428 5/20 0.69
HSD17B10 Q99714 3/20 0.69
MAPT P10636 3/20 0.69
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
TP53 P04637 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
FASN P49327 1/20 0.55
PCSK9 Q8NBP7 1/20 0.55

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
Benzoic Acid SCHEMBL11551976 0.98 NPC1 (0.68) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL8155474 0.92 NPC1 (0.60) NPC1RAB9AHPGDHSD17B10MAPT
Resorcinol SCHEMBL11334634 0.90 NPC1 (0.59) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL8125582 0.86 NPC1 (0.68) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL9680824 0.86 NPC1 (0.72) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL11333471 0.86 NPC1 (0.68) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL1675372 0.85 HDAC6 (0.65) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL11697839 0.85 NPC1 (0.63) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL13067553 0.85 NPC1 (0.63) NPC1RAB9AHPGDHSD17B10MAPT
SCHEMBL31170 0.84 NPC1 (0.81) NPC1RAB9AHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
CN-112521369-A Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2021-03-19 CN disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
CN-105492008-B Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2020-11-27 CN disclosed
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20040049052-A1 Benzophenone uv-absorbers with heterocyclic substituents CIBA SPECIALTY CHEMICALS CORP. 2004-03-11 US disclosed
EP-1351943-A1 BENZOPHENONE UV-ABSORBERS WITH HETEROCYCLIC SUBSTITUENTS Ciba SC Holding AG (CH) 2003-10-15 EP disclosed
WO-2002048118-A1 BENZOPHENONE UV-ABSORBERS WITH HETEROCYCLIC SUBSTITUENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US disclosed
US-4418002-A Melamine group containing ultraviolet stabilizers and their use in organic compositions II EASTMAN KODAK COMPANY (US) 1983-11-29 US disclosed
US-4418001-A Melamine group containing ultraviolet stabilizers and their use in organic compositions III EASTMAN KODAK COMPANY (US) 1983-11-29 US disclosed
US-3988295-A Organic compositions stabilized with benzoxazole or oxadiazole compounds EASTMAN KODAK COMPANY (US) 1976-10-26 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 NPC1 2125/4885RAB9A 3173/4885HPGD 211/4885
US-20040049052-A1 Benzophenone uv-absorbers with heterocyclic substituents TRPC1, C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 1470/4885RAB9A 3407/4885HPGD 3629/4885
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD NPC1 369/4885RAB9A 2916/4885HPGD 2419/4885
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 NPC1 3110/4885RAB9A 4620/4885HPGD 2515/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD NPC1 324/4885RAB9A 2631/4885HPGD 3017/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD NPC1 369/4885RAB9A 2916/4885HPGD 2419/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD NPC1 369/4885RAB9A 2916/4885HPGD 2419/4885

“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.