SCHEMBL133466

SCHEMBL133466

CN(C)c1cccc([C]=O)c1N=Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 8/20 0.37
▸ KMT2A Q03164 8/20 0.37
▸ NPC1 O15118 7/20 0.37
▸ MEN1 O00255 7/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ NSD2 O96028 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL538420 0.76 TDP1 (0.44) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL7146501 0.76 MAPT (0.42) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL3720716 0.75 MYC (0.52) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL97296 0.73 ALDH1A1 (0.45) TDP1MAPK1ALDH1A1TSHRMAPT
SCHEMBL28604415 0.73 POLB (0.46) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL28584348 0.73 CA2 (0.53) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL187588 0.72 TDP1 (0.55) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL30342247 0.72 TDP1 (0.55) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL28313589 0.72 TDP1 (0.55) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL133465 0.71 MAPT (0.37) TDP1MAPK1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137539-B1 N-SUBSTITUTED TETRAHYDROTHIAZINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS PESTICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-05-04 — — EP claimed
US-20190337988-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES XIGEN INFLAMMATION LTD. (CY) 2019-11-07 — — US disclosed
US-10023615-B2 Efficient transport into white blood cells XIGEN INFLAMMATION LTD. (CY) 2018-07-17 — — US disclosed
CN-102256998-B Novel transporter constructs and transporter cargo binding molecules 希根因弗兰曼斯有限公司 2018-06-15 — — CN disclosed
EP-2361260-B1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES XIGEN INFLAMMATION LTD (CY) 2016-08-17 — — EP disclosed
CN-102256999-B Efficient transport to leukocytes XIGEN INFLAMMATION LTD. (CY) 2016-03-02 — — CN disclosed
EP-2947093-A1 EFFICIENT TRANSPORT INTO WHITE BLOOD CELLS Xigen Inflammation Ltd. (CY) 2015-11-25 — — EP disclosed
EP-2361259-B1 EFFICIENT TRANSPORT INTO WHITE BLOOD CELLS XIGEN INFLAMMATION LTD (CY) 2015-04-22 — — EP disclosed
US-20120142584-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES XIGEN, S.A. (CH) 2012-06-07 — — US disclosed
US-20120058137-A1 EFFICIENT TRANSPORT INTO WHITE BLOOD CELLS XIGEN, S.A. (CH) 2012-03-08 — — US disclosed
CN-102256999-A Efficient transport to leukocytes XIGEN SA 2011-11-23 — — CN disclosed
CN-102256998-A Novel transporter constructs and transporter cargo binding molecules XIGEN SA 2011-11-23 — — CN disclosed
EP-2361260-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES Xigen S.A. (CH) 2011-08-31 — — EP disclosed
EP-2361259-A1 EFFICIENT TRANSPORT INTO WHITE BLOOD CELLS Xigen S.A. (CH) 2011-08-31 — — EP disclosed
WO-2010072405-A1 EFFICIENT TRANSPORT INTO WHITE BLOOD CELLS XIGEN S.A. (CH) 2010-07-01 — — WO disclosed
WO-2010072406-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES XIGEN S.A. (CH) 2010-07-01 — — WO disclosed
WO-2010072275-A1 EFFICIENT DELIVERY OF MEDICAMENTS INTO WHITE BLOOD CELLS XIGEN S.A. (CH) 2010-07-01 — — WO disclosed
WO-2010072228-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES XIGEN S.A. (CH) 2010-07-01 — — WO disclosed
EP-0137539-B1 N-SUBSTITUTED TETRAHYDROTHIAZINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS PESTICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-05-04 — — EP disclosed
EP-0137539-A1 N-substituted tetrahydrothiazines, process for their preparation, and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-04-17 — — EP 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-20120058137-A1 EFFICIENT TRANSPORT INTO WHITE BLOOD CELLS SLC2A1, SLC2A3, SLC2A2 TDP1 2710/4885MAPK1 4308/4885ALDH1A1 848/4885
US-20190337988-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES SLC43A1, SLCO2B1, SLC29A1 TDP1 737/4885MAPK1 4200/4885ALDH1A1 1050/4885
US-20120142584-A1 NOVEL TRANSPORTER CONSTRUCTS AND TRANSPORTER CARGO CONJUGATE MOLECULES SLC43A1, SLCO2B1, SLC29A1 TDP1 737/4885MAPK1 4200/4885ALDH1A1 1050/4885
US-10023615-B2 Efficient transport into white blood cells SLC2A1, SLC2A3, SLC2A2 TDP1 2710/4885MAPK1 4308/4885ALDH1A1 848/4885

“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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