SCHEMBL3587300

SCHEMBL3587300

NC(=S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
TPMT P51580 1/20 0.46
TSHR P16473 1/20 0.44
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 3/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 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
SCHEMBL12332467 0.84 CTSL (0.42) MAPTALDH1A1LMNAGAAALOX12
SCHEMBL18004027 0.84 TAS1R3 (0.36) MAPTALDH1A1LMNAGAAALOX12
SCHEMBL12127523 0.79 ALDH1A1 (0.44) MAPTALDH1A1LMNAGAAALOX12
SCHEMBL628459 0.79 ALDH1A1 (0.46) MAPTALDH1A1LMNAGAACTSL
SCHEMBL70253 0.75 PARP1 (0.63) MAPTALDH1A1GAATSHRHTR3E
SCHEMBL12127674 0.74 MAOA (0.46) MAPTALDH1A1LMNAALOX12CYP3A4
SCHEMBL12127806 0.74 GRIN2B (0.44) MAPTALDH1A1GAA
SCHEMBL12127370 0.74 PARP10 (0.40) MAPTALDH1A1LMNAGAAALOX12
SCHEMBL9586261 0.74 TPMT (0.55) MAPTALDH1A1LMNAGAAALOX12
SCHEMBL3597105 0.74 ATP4A (0.38) MAPTALDH1A1LMNAGAAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 EP disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (3 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-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT MAPT 2798/4885ALDH1A1 4088/4885LMNA 158/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT MAPT 2798/4885ALDH1A1 4088/4885LMNA 158/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MAPT 4292/4885ALDH1A1 971/4885LMNA 4877/4885

“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.