SCHEMBL3028098

SCHEMBL3028098

[S]CCc1[nH]cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 1/20 0.40
▸ CYP2A6 P11509 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ MPO P05164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CYP2A13 Q16696 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL13376478 0.80 HTR2A (0.47) METAP1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL3430076 0.80 METAP1 (0.40) METAP1CYP2A6TDP1ALDH1A1TSHR
SCHEMBL28501579 0.79 TDP1 (0.40) METAP1CYP2A6TDP1ALDH1A1TSHR
SCHEMBL292913 0.75 METAP1 (0.36) METAP1CYP2A6TDP1ALDH1A1TSHR
SCHEMBL13978037 0.75 METAP1 (0.36) METAP1CYP2A6TDP1ALDH1A1TSHR
SCHEMBL3875462 0.75 GPR84 (0.36) METAP1CYP2A6TDP1ALDH1A1TSHR
SCHEMBL13977730 0.75 METAP1 (0.36) METAP1CYP2A6TDP1ALDH1A1TSHR
SCHEMBL2660501 0.73 MPO (0.46) METAP1ALDH1A1MPOMAPT
SCHEMBL28691266 0.72 KMT2A (0.47) METAP1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL1307228 0.72 METAP1 (0.36) METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 — — EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 — — US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 — — US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 — — EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 — — 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 (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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA METAP1 3312/4885CYP2A6 306/4885TDP1 3707/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 METAP1 1718/4885CYP2A6 975/4885TDP1 1989/4885

“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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