SCHEMBL3084057

SCHEMBL3084057

Cc1cccc(Cl)c1Nc1ncccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.74
DHODH Q02127 12/20 0.68
LMNA P02545 2/20 0.65
GAA P10253 1/20 0.65
MEN1 O00255 4/20 0.57
RAB9A P51151 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 3/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50

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
Metanixin SCHEMBL2107737 0.90 LMNA (0.78) CLCN2DHODHLMNAGAAMEN1
SCHEMBL24021545 0.85 CLCN2 (1.00) CLCN2DHODHLMNAGAAMEN1
SCHEMBL11837738 0.84 HTT (0.54) CLCN2DHODHLMNAGAARAB9A
Clonixin SCHEMBL121785 0.81 DHODH (1.00) CLCN2DHODHLMNAGAAMEN1
Clonixin SCHEMBL30702579 0.81 DHODH (1.00) CLCN2DHODHLMNAGAAMEN1
Clonixin SCHEMBL9143637 0.81 DHODH (1.00) CLCN2DHODHLMNAGAAMEN1
SCHEMBL5572440 0.78 CLCN2 (0.63) CLCN2DHODHLMNAGAAMEN1
SCHEMBL28785117 0.78 ACLY (0.54) CLCN2LMNAMEN1KMT2AMAPT
Nixylic Acid SCHEMBL31016400 0.78 DHODH (0.76) CLCN2DHODHLMNAGAAMEN1
Nixylic Acid SCHEMBL2733856 0.78 DHODH (0.76) CLCN2DHODHLMNAGAAMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024229332-A1 ANTI-CANCER TREATMENTS AND METHODS OF USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-11-07 WO claimed
WO-2024229332-A1 ANTI-CANCER TREATMENTS AND METHODS OF USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-11-07 WO disclosed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
EP-0331471-B1 HIGH MOLECULAR WEIGHT PRODRUG DERIVATIVES OF ANTIINFLAMMATORY DRUGS Larsen, Claus Selch (DK) 1992-12-16 EP disclosed
EP-0105635-B1 NONIRRITATING AQUEOUS OPHTHALMIC COMPOSITIONS COMFORT FORMULATION FOR OCULAR THEREPEUTIC AGENTS ALCON LABORATORIES, INC. (US) 1990-04-04 EP disclosed
WO-1989008119-A1 HIGH MOLECULAR WEIGHT PRODRUG DERIVATIVES OF ANTI-INFLAMMATORY DRUGS SELCH LARSEN CLAUS (DK) 1989-09-08 WO disclosed
EP-0331471-A1 High molecular weight prodrug derivatives of antiinflammatory drugs Larsen, Claus Selch (DK) 1989-09-06 EP disclosed
US-4559343-A ANTIINFLAMMATORY AGENT WITH XANTHINE DERIVATIVE ALCON LABORATORIES, INC. (US) 1985-12-17 US disclosed
EP-0105635-A2 Nonirritating aqueous ophthalmic compositions comfort formulation for ocular therepeutic agents ALCON LABORATORIES, INC. (US) 1984-04-18 EP disclosed
US-3959272-A ANALGESICS, ANTIINFLAMMATORY, PSYCHOTROPIC SOCIETE ANONYME DITE: HEXACHIME (FR) 1976-05-25 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 (1 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT CLCN2 4571/4885DHODH 526/4885LMNA 3496/4885

“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.