SCHEMBL1683898

SCHEMBL1683898

COc1cccc(C(=O)C2COC(c3ccccc3)N2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL1683797 0.90 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL1683871 0.86 CES2 (0.44) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL1683646 0.83 CA12 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1684009 0.83 EPHX1 (0.45) SMN1; SMN2KMT2AHTTPARP1ALDH1A1
SCHEMBL1683813 0.81 ALDH1A1 (0.44) SMN1; SMN2KMT2AHTTALDH1A1KDM4E
SCHEMBL1683600 0.77 NPC1 (0.46) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL1683590 0.76 ALDH1A1 (0.50) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL21597980 0.74 EDNRA (0.42) RAB9ASMN1; SMN2KMT2AMAOBALDH1A1
SCHEMBL28421659 0.73 EPHX1 (0.64) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL21597984 0.73 TSHR (0.41) RAB9AKMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 — — US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 — — US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 — — US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 — — US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 — — EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 — — EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 — — US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 — — US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 — — US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 — — EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 — — WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 — — 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY NPC1 726/4885RAB9A 1842/4885CES2 1498/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885CES2 2910/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885CES2 2910/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885CES2 2910/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885CES2 2910/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 NPC1 3854/4885RAB9A 2933/4885CES2 2910/4885

“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.

Send feedback