SCHEMBL2643014

SCHEMBL2643014

c1ccc(CC[N]Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.50
HIF1A Q16665 3/20 0.50
CYP2A6 P11509 2/20 0.50
TRPA1 O75762 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A13 Q16696 1/20 0.50
EPAS1 Q99814 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
HTR2A P28223 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL721250 0.87 HIF1A (0.56) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL10325242 0.87 TRPA1 (0.48) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL5466467 0.86 HTR3A (0.55) MIFSMN1; SMN2HTR2AADRA1ASLC6A3
SCHEMBL9819810 0.84 MIF (0.55) MIFHTR3AMAPTMAOAMAOB
SCHEMBL1653 0.84 ALDH1A1 (0.55) MIFCYP2A6TRPA1ALDH1A1HPGD
SCHEMBL9819801 0.82 NAAA (0.56) MIFHTR3AMAPTMAOAMAOB
SCHEMBL9819788 0.82 NAAA (0.56) MIFHTR3AMAPTMAOAMAOB
SCHEMBL2587464 0.82 LTA4H (0.57) HIF1ASMN1; SMN2LMNASLC6A2SLC6A3
Hydrogen Sulfide SCHEMBL5079696 0.81 ALDH1A1 (0.52) MIFCYP2A6TRPA1ALDH1A1HPGD
SCHEMBL9120248 0.78 HTR2A (0.48) MIFCYP2A6TRPA1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 EP claimed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 US claimed
EP-1412328-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP claimed
US-20030055002-A1 Dolastatin 10 derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US claimed
WO-2003008378-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO claimed
EP-1496052-B1 NOVEL AMINOBENZAMIDE DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-08-05 EP disclosed
US-7253188-B2 Aminobenzamide derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-07 US disclosed
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-20050282815-A1 Novel aminobenzamide derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-12-22 US disclosed
EP-1496052-A1 NOVEL AMINOBENZAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-5260446-A Azo dye precursors BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0546993-A1 Water soluble triazine derivatives for the photochemical and thermal stabilisation of polyamide fiber materials CIBA-GEIGY AG (CH) 1993-06-16 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
EP-0433879-A2 Aminothiazoles BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4423215-A REACTING ESTER, SODIUM IODIDE, 4-PYRIDINEETHANESULFONIC ACID AJINOMOTO COMPANY, INC. (JP) 1983-12-27 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 (2 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-20030055002-A1 Dolastatin 10 derivatives DAD1, DDOST, NPC1 MIF 3783/4885HIF1A 3368/4885CYP2A6 2461/4885
US-20050282815-A1 Novel aminobenzamide derivative GCKR, GCK, HK2 MIF 4819/4885HIF1A 1538/4885CYP2A6 1759/4885

“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.