SCHEMBL3237033

SCHEMBL3237033

O=[N+]([O-])c1ccc(C2(CO)CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ HTR1E P28566 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CES1 P23141 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL1769433 0.93 TSHR (0.47) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL16423195 0.85 L3MBTL1 (0.47) TSHRMAPTALDH1A1LMNAKMT2A
SCHEMBL3229047 0.83 NPC1 (0.40) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL3220574 0.78 CA12 (0.39) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL28662620 0.77 NPC1 (0.46) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL14176144 0.75 ATM (0.49) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL2817503 0.75 MAOA (0.52) TSHRALDH1A1LOXL2CA1CA2
SCHEMBL5366727 0.74 MAPT (0.43) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL9110057 0.74 HSD17B10 (0.48) TSHRMAPTHTR1ENPSR1S1PR3
SCHEMBL20476006 0.73 TSHR (0.47) TSHRMAPTHTR1ENPSR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633712-B1 SIX MEMBERED AMINO-AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS CHEN GUOQING PAUL (US) 2014-06-25 — — EP disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO disclosed
US-7129252-B2 Six membered amino-amide derivatives an angiogenisis inhibitors HLB CO., LTD. (KR) 2006-10-31 — — US disclosed
EP-1633712-A2 SIX MEMBERED AMINO-AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Chen, Guoqing Paul (US) 2006-03-15 — — EP disclosed
WO-2005000232-A2 SIX MEMBERED AMINO-AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS CHEN GUOQING PAUL (US) 2005-01-06 — — WO disclosed
US-20040259916-A1 Six membered amino-amide derivatives an angiogenisis inhibitors HLB CO., LTD. (KR) 2004-12-23 — — 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 TSHR 496/4885MAPT 4861/4885HTR1E 1353/4885
US-20040259916-A1 Six membered amino-amide derivatives an angiogenisis inhibitors TEK, FLT1, VEGFA TSHR 4788/4885MAPT 1403/4885HTR1E 4363/4885

“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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