SCHEMBL12470967

SCHEMBL12470967

COc1ccc(C2NCCS2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.52
MAPT P10636 6/20 0.51
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47
TUBA3E Q6PEY2 4/20 0.47
TUBA1A Q71U36 4/20 0.47
TUBA1C Q9BQE3 4/20 0.47

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
SCHEMBL2082412 0.88 TSHR (0.57) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL31529055 0.88 TSHR (0.57) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL31529056 0.88 TSHR (0.57) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2084236 0.86 GFER (0.56) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8290440 0.82 MAPT (0.55) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL12470822 0.81 MAPT (0.56) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL12470882 0.80 ERN1 (0.68) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL12470469 0.76 GAA (0.51) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL12470606 0.75 ERN1 (0.54) ERN1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2084131 0.74 MAPT (0.66) ERN1MAPTTDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US claimed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO claimed
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 US disclosed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 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-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR ERN1 3831/4885MAPT 1956/4885TDP1 1176/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD ERN1 4132/4885MAPT 2700/4885TDP1 1138/4885

“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.