SCHEMBL724233

SCHEMBL724233

NC(=O)c1cccc2cc([N+](=O)[O-])cc(C(N)=O)c12.OBO.c1cc2cc-2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 2/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ATM Q13315 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
SCHEMBL723147 0.94 ALDH1A1 (0.47) ALDH1A1LMNATSHRPARP1KMT2A
Phenylboronic Acid SCHEMBL723146 0.80 ALDH1A1 (0.44) ALDH1A1LMNATSHRPARP1KMT2A
SCHEMBL11428771 0.75 CLTC (0.50) ALDH1A1TSHRKMT2APOLBMAPT
SCHEMBL27726655 0.73 TSHR (0.46) ALDH1A1LMNATSHRKMT2APOLB
SCHEMBL23909557 0.71 ALDH1A1 (0.54) ALDH1A1LMNATSHRPARP1KMT2A
SCHEMBL3895684 0.69 CLTC (0.46) ALDH1A1TSHRKMT2APOLBMAPT
SCHEMBL27940770 0.69 TSHR (0.58) ALDH1A1LMNATSHRKMT2AMAPT
SCHEMBL6792974 0.68 TSHR (0.51) ALDH1A1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL157601 0.68 KDM4E (0.55) ALDH1A1TSHRPARP1POLBSMN1; SMN2
SCHEMBL23909587 0.68 ALDH1A1 (0.54) ALDH1A1LMNATSHRPARP1KMT2A

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
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 — — US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 — — US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 — — US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 — — US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — US disclosed
WO-2005065241-A2 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS ARGOSE, INC. (US) 2005-07-21 — — 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 (4 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-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 ALDH1A1 4364/4885LMNA 1967/4885TSHR 2662/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 ALDH1A1 4364/4885LMNA 1967/4885TSHR 2662/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 ALDH1A1 4364/4885LMNA 1967/4885TSHR 2662/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 ALDH1A1 4364/4885LMNA 1967/4885TSHR 2662/4885

“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.

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