Sugi Predict

Sugi Predict / Compounds / SCHEMBL17208256

SCHEMBL17208256

SCHEMBL17208256

C=C1Cc2cc(C(C)(C)C)ccc2N1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13591485 0.86 NR1H3 (0.39) NR1H3HRH3ALDH1A1ALOX15HSD17B10
SCHEMBL10133811 0.80 NR1H3 (0.42) NR1H3HRH3ALDH1A1ALOX15HSD17B10
SCHEMBL12245376 0.79 TRIM24 (0.47) NR1H3ALDH1A1MEN1GAAPKM
SCHEMBL19910555 0.79 NR1H3 (0.34) NR1H3HRH3ALDH1A1ALOX15HSD17B10
SCHEMBL14867086 0.77 METAP1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL25536869 0.76 NR1H3 (0.39) NR1H3HRH3ALDH1A1ALOX15HSD17B10
SCHEMBL26021779 0.75 POLB (0.41) SMN1; SMN2GAAPKM
SCHEMBL28522534 0.75 METAP1 (0.40) ALOX15HSD17B10MAPTMEN1KMT2A
SCHEMBL761237 0.72 CYP11B2 (0.50) NR1H3NR1H2TP53
SCHEMBL20273661 0.72 SRD5A1 (0.38) NR1H3ALDH1A1ALOX15SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2017-01-19 — — US disclosed
US-9458132-B2 Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS, INC (US) 2016-10-04 — — US disclosed
US-20150307473-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2015-10-29 — — US disclosed
US-20140309427-A1 Substituted Pyran Derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-16 — — 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 (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-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES SLC18A2, SLC6A4, SLC6A3 NR1H3 1141/4885HRH3 847/4885ALDH1A1 772/4885
US-20150307473-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS PDK1, PDK2, PDK3 NR1H3 937/4885HRH3 4533/4885ALDH1A1 1314/4885
US-20140309427-A1 Substituted Pyran Derivatives SLC18A2, SLC6A4, SLC6A3 NR1H3 1141/4885HRH3 847/4885ALDH1A1 772/4885

“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.