SCHEMBL4123825

SCHEMBL4123825

Cc1ncc(C(=O)Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.40
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DGAT1 O75907 2/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
P4HA1 P13674 2/20 0.33
P4HTM Q9NXG6 2/20 0.33
HCAR3 P49019 1/20 0.32
MAPK1 P28482 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL669121 0.77 NNMT (0.52) SMN1; SMN2SMYD3KDM4EHSD17B10POLB
SCHEMBL14782157 0.77 NAPRT (0.41) NAPRTRAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL2175856 0.77 KCNJ1 (0.39) RAB9ASMN1; SMN2HDAC1HDAC6SMYD3
SCHEMBL185619 0.77 ALDH1A1 (0.58) NAPRTSMN1; SMN2ALDH1A1KDM4EALOX15
SCHEMBL6987829 0.77 NAPRT (0.46) NAPRTRAB9ASMN1; SMN2DGAT1P4HA1
SCHEMBL20396058 0.75 NAPRT (0.40) NAPRTSMN1; SMN2HDAC1HDAC6ALDH1A1
SCHEMBL31497513 0.75 HDAC1 (0.56) NAPRTSMN1; SMN2HDAC1HDAC6ALDH1A1
SCHEMBL1435924 0.75 NAPRT (0.36) NAPRTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4274472 0.75 MAPK1 (0.37) NAPRTRAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL600144 0.75 HDAC1 (0.60) NAPRTRAB9ASMN1; SMN2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107683283-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2021-05-18 CN disclosed
US-10696691-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-06-30 US disclosed
US-20190270757-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-05 US disclosed
EP-3334742-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-10246468-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-04-02 US disclosed
US-20190002476-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2019-01-03 US disclosed
EP-3334742-A1 BACE1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-06-20 EP disclosed
CN-107683283-A Bace1 inhibitor 豪夫迈·罗氏有限公司 2018-02-09 CN disclosed
WO-2017025491-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NAPRT 1973/4885RAB9A 2883/4885SMN1; SMN2 4770/4885
US-10696691-B2 BACE1 inhibitors BACE1, BACE2, APP NAPRT 986/4885RAB9A 1581/4885SMN1; SMN2 936/4885
US-10246468-B2 BACE1 inhibitors BACE1, BACE2, APP NAPRT 1026/4885RAB9A 1570/4885SMN1; SMN2 997/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NAPRT 1973/4885RAB9A 2883/4885SMN1; SMN2 4770/4885
US-20190270757-A1 BACE1 INHIBITORS BACE1, BACE2, APP NAPRT 986/4885RAB9A 1581/4885SMN1; SMN2 936/4885
US-20190002476-A1 BACE1 INHIBITORS BACE1, BACE2, APP NAPRT 986/4885RAB9A 1581/4885SMN1; SMN2 936/4885

“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.