Sugi Predict

Sugi Predict / Compounds / SCHEMBL223551

SCHEMBL223551

SCHEMBL223551

C=C(C(=O)NC=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ CES1 P23141 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ CES2 O00748 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 2/20 0.39

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
SCHEMBL11883855 0.84 AKT1 (0.47) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL8674570 0.79 CES2 (0.54) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL648422 0.77 HDAC8 (0.54) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL1388162 0.77 ALDH1A1 (0.43) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL10477310 0.75 CES1 (0.43) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL11808646 0.75 MAPT (0.43) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL4530513 0.75 TSHR (0.45) TDP1MAPK1ALDH1A1AKT1MAPT
SCHEMBL554490 0.74 RAB9A (0.59) TDP1MAPK1ALDH1A1MAPTCES1
SCHEMBL3427621 0.73 KMT2A (0.55) TDP1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28387684 0.73 TGM2 (0.48) TDP1MAPK1ALDH1A1AKT1MAPT

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 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 — — EP claimed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 — — EP claimed
EP-3645540-B1 SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2021-11-03 — — EP claimed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 — — EP claimed
US-20200172798-A1 Silole and Germole Fused Ring Photochromic Compounds TRANSITIONS OPTICAL, LTD. (IE) 2020-06-04 — — US claimed
EP-3645540-A1 SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS Transitions Optical, Ltd. (IE) 2020-05-06 — — EP claimed
EP-3621958-A1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS Transitions Optical, Ltd. (IE) 2020-03-18 — — EP claimed
US-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds TRANSITIONS OPTICAL, LTD. (IE) 2020-02-13 — — US claimed
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 — — EP claimed
EP-2651911-B9 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC (US) 2019-07-17 — — EP claimed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 — — US claimed
US-20110135850-A1 PHOTOALIGNMENT MATERIALS HAVING IMPROVED ADHESION TRANSITIONS OPTICAL, INC. (US) 2011-06-09 — — US claimed
US-20110128457-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2011-06-02 — — US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 — — US claimed
WO-2010080311-A1 CLEAR TO CIRCULAR POLARIZING PHOTOCHROMIC DEVICES AND METHODS OF MAKING THE SAME TRANSITIONS OPTICAL, INC. (US) 2010-07-15 — — WO claimed
WO-2010065406-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2010-06-10 — — WO claimed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 — — WO claimed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 — — US claimed
US-20090146104-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2009-06-11 — — US claimed
US-20090135462-A1 CLEAR TO CIRCULAR POLARIZING PHOTOCHROMIC DEVICES AND METHODS OF MAKING THE SAME TRANSITIONS OPTICAL, INC. (US) 2009-05-28 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds ALDH1A2, RB1, INCENP TDP1 1453/4885MAPK1 1613/4885ALDH1A1 433/4885
US-20200172798-A1 Silole and Germole Fused Ring Photochromic Compounds CCNB2, SKP2, CCNB1 TDP1 4529/4885MAPK1 3066/4885ALDH1A1 429/4885
US-20110140056-A1 Indeno-fused ring compounds CRY2, SQOR, INTS6 TDP1 4435/4885MAPK1 3969/4885ALDH1A1 498/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX TDP1 995/4885MAPK1 2734/4885ALDH1A1 1243/4885
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS CCR4, CCR8, CBR3 TDP1 3195/4885MAPK1 3809/4885ALDH1A1 1782/4885

“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.