SCHEMBL10090744

SCHEMBL10090744

COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.78
▸ RAB9A P51151 8/20 0.78
▸ POLB P06746 3/20 0.78
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPT P10636 4/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ KMT2A Q03164 4/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ MEN1 O00255 3/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ABCB1 P08183 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ GAA P10253 1/20 0.59
▸ GFER P55789 1/20 0.58

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
SCHEMBL10090719 0.90 MAPT (0.79) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL12345548 0.86 NPC1 (0.83) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL18737213 0.85 RAB9A (0.79) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL2349361 0.82 KMT2A (0.83) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL31254451 0.81 RAB9A (1.00) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL28715654 0.80 RAB9A (0.69) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL6293964 0.79 ALDH1A1 (0.67) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL2346117 0.78 RAB9A (0.73) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL11733136 0.78 ALDH1A1 (0.65) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL10090762 0.78 ATM (0.69) NPC1RAB9APOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020391-B2 CRMP2 sumoylation inhibitors and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-06-01 — — US disclosed
US-10441586-B2 CRMP2 SUMOylation inhibitors and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-10-15 — — US disclosed
WO-2017062804-A1 CRMP2 SUMOYLATION INHIBITORS AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-04-13 — — WO disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 — — US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 — — US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 — — 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 (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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF NPC1 1073/4885RAB9A 2160/4885POLB 3043/4885
US-11020391-B2 CRMP2 sumoylation inhibitors and uses thereof SUMO2, SUMO1, SUMO3 NPC1 1991/4885RAB9A 1676/4885POLB 4790/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF NPC1 1073/4885RAB9A 2160/4885POLB 3043/4885
US-10441586-B2 CRMP2 SUMOylation inhibitors and uses thereof SUMO1, SUMO2, SUMO3 NPC1 1542/4885RAB9A 1770/4885POLB 4807/4885

“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.

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