Sugi Predict

Sugi Predict / Compounds / SCHEMBL15417192

SCHEMBL15417192

SCHEMBL15417192

CC(C)(C)c1cc(F)c(F)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ ALOX15 P16050 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATP2A2 P16615 1/20 0.43
▸ ATP2A3 Q93084 1/20 0.43
▸ CA2 P00918 4/20 0.39
▸ CA1 P00915 2/20 0.39
▸ POLB P06746 3/20 0.38
▸ TYR P14679 2/20 0.38
▸ LMNA P02545 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL7877558 0.88 ALDH1A1 (0.39) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL26179223 0.88 ALDH1A1 (0.39) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL13945794 0.87 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL15417372 0.83 CYP1A2 (0.38) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL15417163 0.83 CYP1A2 (0.38) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL24000906 0.81 ALDH1A1 (0.35) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL11930065 0.81 POLB (0.41) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL12731873 0.81 ALOX15 (0.67) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL19163700 0.81 SMN1; SMN2 (0.38) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL7132801 0.78 ALDH1A1 (0.53) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2

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
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 — — US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 — — US disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 — — US disclosed
US-8623866-B2 — — 2014-01-07 — — US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 — — 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS ALDH1A1 3136/4885ALOX15 4187/4885SMN1; SMN2 3692/4885
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS ALDH1A1 3200/4885ALOX15 4317/4885SMN1; SMN2 4152/4885
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A ALDH1A1 271/4885ALOX15 3750/4885SMN1; SMN2 1370/4885

“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.