SCHEMBL6346563

SCHEMBL6346563

CC(O)CCCCn1c(=O)c2c(nc(Br)n2C)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.59
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.44
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.40
NFKB1 P19838 1/20 0.40
ACHE P22303 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL6346559 1.00 TNF (0.59) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL19975701 0.86 TNF (0.46) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL8126411 0.86 TNF (0.46) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL19975702 0.86 TNF (0.46) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL6351320 0.84 LMNA (0.53) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL6351323 0.84 LMNA (0.53) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL6346617 0.83 TNF (0.58) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL6346624 0.83 TNF (0.58) TNFLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL681774 0.82 LMNA (0.44) TNFLMNANPSR1SMN1; SMN2TSHR
SCHEMBL6357316 0.82 LMNA (0.43) TNFLMNANPSR1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
US-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease CELL THERAPEUTICS, INC. (US) 2005-02-10 US disclosed
US-6774130-B2 TREATING CHRONIC INFLAMMATORY DISEASE, CHRONIC INTESTINAL INFLAMMATION, ARTHRITIS, PSORIASIS, ASTHMA AND AUTOIMMUNE DISORDERS; TH1 CELL-MEDIATED DISORDERS; FOR EXAMPLE, 1,2,3,6-TETRAHYDRO-7H-PURINE-2,6-DIONE DERIVATIVES CELL THERAPEUTICS, INC. 2004-08-10 US disclosed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 WO 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 (3 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-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease TPMT, IL2, NFATC1 TNF 274/4885LMNA 2677/4885NPSR1 2785/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 TNF 1268/4885LMNA 2104/4885NPSR1 1466/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 TNF 1369/4885LMNA 767/4885NPSR1 1210/4885

“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.