SCHEMBL20116561

SCHEMBL20116561

COc1ccc(-c2nc(C3CCNCC3)no2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.77
RAB9A P51151 5/20 0.77
KDM4E B2RXH2 5/20 0.77
HSD17B10 Q99714 4/20 0.77
ALDH1A1 P00352 4/20 0.77
HPGD P15428 3/20 0.77
USP7 Q93009 1/20 0.61
SMN1; SMN2 Q16637 7/20 0.52
TSHR P16473 3/20 0.52
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TLR9 Q9NR96 3/20 0.48
TLR8 Q9NR97 3/20 0.48
TLR7 Q9NYK1 3/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
PLAT P00750 1/20 0.46

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
SCHEMBL30506246 1.00 NPC1 (0.77) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL20116145 0.79 TLR9 (0.70) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL30506252 0.79 TLR9 (0.70) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10040494 0.78 USP7 (0.65) NPC1RAB9AKDM4EHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL20661015 0.78 TLR9 (0.68) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL21938901 0.76 HSD17B10 (0.61) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10040533 0.76 USP7 (0.74) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10619580 0.76 USP7 (0.74) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL13135840 0.76 USP7 (0.74) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL407318 0.76 USP7 (0.74) NPC1RAB9AKDM4EHSD17B10ALDH1A1

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
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 NPC1 72/4885RAB9A 2129/4885KDM4E 2853/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NPC1 72/4885RAB9A 2129/4885KDM4E 2853/4885

“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.