SCHEMBL2622409

SCHEMBL2622409

COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NCCCc4ccccc4)cn3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.57
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
NAMPT P43490 3/20 0.48
TP53 P04637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD4 P21917 2/20 0.45
GPR6 P46095 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1B P49286 1/20 0.43

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
SCHEMBL30503203 1.00 SCD (0.57) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3677104 0.97 SCD (0.56) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3667896 0.95 SCD (0.63) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3467667 0.94 SCD (0.58) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL13953001 0.91 SCD (0.57) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3676792 0.89 SCD (0.48) SCDLMNAHPGDDRD4GPR6
SCHEMBL3678636 0.89 SCD (0.48) SCDDRD4GPR6
SCHEMBL3670636 0.89 SCD (0.47) SCDDRD4KMT2A
SCHEMBL3671639 0.88 SCD (0.47) SCDNPC1RAB9ANAMPTDRD4
SCHEMBL3670603 0.87 SCD (0.68) SCDNPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250297321-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM INST NAT SANTE RECH MED (FR) 2025-09-25 US claimed
WO-2023144357-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM UNIVERSITE PARIS CITE (FR) 2023-08-03 WO claimed
EP-4219764-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM Université Paris Cité (FR) 2023-08-02 EP claimed
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP claimed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US claimed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 US claimed
US-20250297321-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM INST NAT SANTE RECH MED (FR) 2025-09-25 US disclosed
EP-4469602-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM Université Paris Cité (FR) 2024-12-04 EP disclosed
WO-2023144357-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM UNIVERSITE PARIS CITE (FR) 2023-08-03 WO disclosed
EP-4219764-A1 METHOD FOR DETECTING METABOLIC REPROGRAMING OF CANCER TOWARDS FATTY ACIDS METABOLISM Université Paris Cité (FR) 2023-08-02 EP disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP disclosed
EP-2266566-A2 Nicotinamide derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2010-12-29 EP disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 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 (5 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 SCD 568/4885NPC1 1849/4885ALDH1A1 1469/4885
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents NAMPT, NNT, NNMT SCD 10/4885NPC1 94/4885ALDH1A1 1127/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 SCD 568/4885NPC1 1849/4885ALDH1A1 1469/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885NPC1 31/4885ALDH1A1 3898/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885NPC1 94/4885ALDH1A1 1127/4885

“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.