SCHEMBL4057291

SCHEMBL4057291

Cc1cn2ccc(O)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
NPC1 O15118 6/20 0.42
POLB P06746 3/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 6/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PKM P14618 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL18726996 0.81 HDAC1 (0.47) HDAC1NPC1POLBGAAGFER
SCHEMBL434154 0.80 SMN1; SMN2 (0.61) HDAC1NPC1POLBGAAGFER
Hydrochloric Acid SCHEMBL6544490 0.78 SMN1; SMN2 (0.59) HDAC1NPC1POLBGAAGFER
SCHEMBL15004605 0.77 HDAC1 (0.47) HDAC1NPC1POLBGAAGFER
SCHEMBL1426603 0.77 HDAC1 (0.50) HDAC1NPC1POLBGAAGFER
SCHEMBL16212792 0.77 TLR9 (0.53) HDAC1NPC1POLBGAAGFER
SCHEMBL15004606 0.77 HDAC1 (0.47) HDAC1NPC1POLBGAAGFER
SCHEMBL13050352 0.77 TP53 (0.38) HDAC1NPC1POLBGAAGFER
SCHEMBL13080648 0.77 KDM4E (0.48) NPC1POLBGAAGFERKMT2A
SCHEMBL20599405 0.77 HDAC1 (0.47) HDAC1NPC1POLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327412-A1 FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-10-03 US disclosed
EP-4294798-A1 FACTOR XIIA INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2023-12-27 EP disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
CN-116829547-A Factor XIIa inhibitors 卡尔维斯塔制药有限公司 2023-09-29 CN disclosed
WO-2022175675-A1 FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-08-25 WO disclosed
US-20210371433-A1 Novel Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 US disclosed
WO-2021179274-A1 ErbB RECEPTOR INHIBITORS AS ANTI-TUMOR AGENTS SUZHOU ZANRONG PHARMA LTD. (CN) 2021-09-16 WO disclosed
US-20190263833-A1 NOVEL MONOCYCLIC AND BICYCLIC RING SYSTEM SUBSTITUTED CARBANUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-29 US disclosed
WO-2018065365-A1 NOVEL MONOCYCLIC AND BICYCLIC RING SYSTEM SUBSTITUTED CARBANUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-12 WO disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP 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 (5 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-20190263833-A1 NOVEL MONOCYCLIC AND BICYCLIC RING SYSTEM SUBSTITUTED CARBANUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT8 HDAC1 39/4885NPC1 2629/4885POLB 1648/4885
US-20210371433-A1 Novel Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors PRMT5, PRMT1, PRMT8 HDAC1 46/4885NPC1 2590/4885POLB 1637/4885
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A HDAC1 131/4885NPC1 2094/4885POLB 1728/4885
US-20240327412-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 HDAC1 345/4885NPC1 3064/4885POLB 1691/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A HDAC1 131/4885NPC1 2094/4885POLB 1728/4885

“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.