SCHEMBL6651705

SCHEMBL6651705

Cc1ccc([N+]#N)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP3A4 P08684 1/20 0.60
GPR35 Q9HC97 1/20 0.46
KAT2B Q92831 2/20 0.42
ACHE P22303 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNMA1 Q12791 1/20 0.38

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
Hydrochloric Acid SCHEMBL11486109 0.98 TSHR (0.58) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL11658463 0.88 TSHR (0.47) TSHRCYP3A4GPR35KAT2BACHE
Trifluoromethanesulfonic Acid SCHEMBL11070798 0.87 TSHR (0.46) TSHRCYP3A4GPR35KAT2BTDP1
SCHEMBL18412395 0.85 TSHR (0.60) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL8134347 0.81 TSHR (0.60) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL8142647 0.79 TDP1 (0.55) TSHRGPR35HSD17B10GAAALDH1A1
SCHEMBL14733278 0.78 EGFR (0.44) TSHRGPR35HSD17B10ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6982977 0.78 TDP1 (0.53) TSHRGPR35HSD17B10GAAALDH1A1
SCHEMBL6657841 0.78 GPR35 (0.50) TSHRCYP3A4GPR35HSD17B10KDM4E
SCHEMBL5997859 0.77 ALDH1A1 (0.51) KDM4EALDH1A1MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8702815-B2 Cyanoborate, fluoroalkylphosphate, fluoroalkylborate or imide dyes MERCK PATENT GMBH (DE) 2014-04-22 US disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 US disclosed
US-7939644-B2 cationic dyes used for coloring plastics, fibers, leather and paper, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp inks, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry MERCK PATENT GMBH (DE) 2011-05-10 US disclosed
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
EP-0931103-B1 MONOMERS, OLIGOMERS AND POLYMERS WITH TERMINAL OXIRANE GROUPS, METHOD OF PREPARATION AND POLYMERISATION UNDER RADIATION EXPOSURE UCB SA (BE) 2004-06-09 EP disclosed
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 EP disclosed
US-4100321-A Powdered tonor image containing article AMERICAN CAN COMPANY (US) 1978-07-11 US disclosed
US-4091194-A Dry photopolymer imaging process AMERICAN CAN COMPANY (US) 1978-05-23 US disclosed
US-4076536-A Dry photopolymer imaging article having a diazonium salt and epoxide copolymer AMERICAN CAN COMPANY (US) 1978-02-28 US disclosed
US-4071671-A RECORDING MATERIALS AMERICAN CAN COMPANY (US) 1978-01-31 US disclosed
US-4056393-A Method of recording information using a copolymer of glycidyl methacrylate and allyl glycidyl ether AMERICAN CAN COMPANY (US) 1977-11-01 US disclosed
US-4054455-A CATALYTIC PHOTOPOLYMERIZATION AMERICAN CAN COMPANY (US) 1977-10-18 US disclosed
US-4054635-A RECORDING AND STORING INFORMATION AMERICAN CAN COMPANY (US) 1977-10-18 US disclosed
US-4054732-A Dry photopolymer imaging process AMERICAN CAN COMPANY (US) 1977-10-18 US disclosed
US-3997344-A Dry positive photopolymer imaging process involving heating and application of toner AMERICAN CAN COMPANY (US) 1976-12-14 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-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES ZAP70, MYLK3, KIT TSHR 3245/4885CYP3A4 2822/4885GPR35 1689/4885
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes ZAP70, MYLK3, KIT TSHR 3245/4885CYP3A4 2822/4885GPR35 1689/4885

“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.