Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012846

SCHEMBL2012846

SCHEMBL2012846

CN(C)c1ccc(/N=N/c2ccc(N[C]=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ TSHR P16473 5/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ NSD2 O96028 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CA2 P00918 3/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50

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
SCHEMBL2012848 1.00 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL222552 0.88 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL1405466 0.79 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217836 0.79 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217840 0.79 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL1405467 0.79 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217829 0.79 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL11695255 0.79 MAPT (0.52) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL5982666 0.79 MAPK1 (0.61) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL5982664 0.79 MAPK1 (0.61) ALDH1A1TSHRMAPK1TDP1HSD17B10

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 56 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-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 — — EP claimed
EP-3071576-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 — — EP claimed
CN-105829319-A Photochromic indeno-fused ring pyran compounds 光学转变公司 2016-08-03 — — CN claimed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 — — EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 — — EP claimed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 — — US claimed
WO-2015077264-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 — — WO claimed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 — — US claimed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 — — US claimed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 — — US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 — — US claimed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 — — EP claimed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 — — WO claimed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 — — US claimed
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 — — EP disclosed
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 — — EP disclosed
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL ,INC. (US) 2008-02-28 — — US disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 — — 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 (4 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-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 ALDH1A1 485/4885TSHR 1072/4885MAPK1 4516/4885
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 ALDH1A1 325/4885TSHR 2083/4885MAPK1 4643/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX ALDH1A1 1243/4885TSHR 4783/4885MAPK1 2734/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 ALDH1A1 654/4885TSHR 1869/4885MAPK1 3691/4885

“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.