SCHEMBL2564589

SCHEMBL2564589

CCCCCCCCCCCCCCCCCC[N]C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 3/20 0.47
DNM1 Q05193 6/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 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
SCHEMBL302707 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL303118 1.00
SCHEMBL9219931 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL577753 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL3386412 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL2565171 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL304992 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL577732 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL59455 1.00
SCHEMBL303552 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554340-A2 CHARGE DISSIPATION MODIFIERS FOR OLEFINIC INTERPOLYMER COMPOSITIONS DUPONT DOW ELASTOMERS L.L.C. (US) 2005-07-20 EP claimed
WO-2004037909-A2 CHARGE DISSIPATION MODIFIERS FOR OLEFINIC INTERPOLYMER COMPOSITIONS DUPONT DOW ELASTOMERS L.L.C. (US) 2004-05-06 WO claimed
US-4576708-A HYDROGENATION, LIQUEFACTION CITIES SERVICE OIL & GAS CORP. (US) 1986-03-18 US claimed
US-8729115-B2 Valsartan derivatives carrying nitrogen oxide donors for the treatment of vascular and metabolic diseases CARDIOLYNX AG (CH) 2014-05-20 US disclosed
US-8703800-B2 Nitrate and diazeniumdiolate derivatives of pioglitazone CARDIOLYNX AG (CH) 2014-04-22 US disclosed
EP-2576545-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE Cardiolynx AG (CH) 2013-04-10 EP disclosed
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2013-03-21 US disclosed
US-20130041001-A1 VALSARTAN DERIVATIVES CARRYING NITROGEN OXIDE DONORS FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES CARDIOLYNX AG (CH) 2013-02-14 US disclosed
WO-2011151362-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2011-12-08 WO disclosed
WO-2011131613-A1 VALSARTAN DERIVATIVES CARRYING NITROGEN OXIDE DONORS FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES CARDIOLYNX AG (CH) 2011-10-27 WO disclosed
EP-1904556-A2 POLYASPARTIC ACID DERIVATIVES IN COVERING AGENTS CONTAINING POLYSILOXANE Lanxess Deutschland GmbH (DE) 2008-04-02 EP disclosed
EP-0334362-A2 Heat developable color light-sensitive material Fuji Photo Film Co., Ltd. (JP) 1989-09-27 EP disclosed
EP-0306833-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-03-15 EP disclosed
US-4783396-A Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-11-08 US disclosed
US-H533-H 1H-PYRAZOLO(1,5-B)OR(5,1-C)-1,2,4-TRIAZOLE MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1988-10-04 US disclosed
EP-0280252-A2 Silver halide photographic material and method for forming super high contrast image therewith FUJI PHOTO FILM CO., LTD. (JP) 1988-08-31 EP disclosed
EP-0220746-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1987-05-06 EP disclosed
US-4286085-A PROMOTERS INTERFACIAL POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 1981-08-25 US disclosed
US-4145219-A HIGH SPEED SILVER HALIDE EMULSION CONTAINING DEVELOPMENT INHIBITOR RELEASING (DIR) COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-03-20 US disclosed
US-3944670-A Pesticidal dithiazolium salts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-03-16 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-20130041001-A1 VALSARTAN DERIVATIVES CARRYING NITROGEN OXIDE DONORS FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES GLS, REN, NAT1 TSHR 2781/4885THRB 1661/4885MEN1 1075/4885
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE PPARD, NOS2, PPARA TSHR 2177/4885THRB 2083/4885MEN1 4198/4885

“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.