SCHEMBL8306766

SCHEMBL8306766

CCn1nc(C)c(C(=O)O)c1C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 5/20 0.41
NPC1 O15118 2/20 0.41
APAF1 O14727 2/20 0.40
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20378348 0.85 POLB (0.57) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL31150294 0.82 POLB (0.42) POLBKMT2AALDH1A1GAAKDM4E
SCHEMBL28015987 0.82 POLB (0.54) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL17731231 0.81 POLB (0.41) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL840431 0.81 POLB (0.45) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL19119188 0.81 POLB (0.57) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL19668771 0.81 MAPK1 (0.48) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL22979354 0.79 PDE4D (0.55) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL22979503 0.79 KDM4E (0.64) POLBALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL26054464 0.79 POLB (0.41) POLBALDH1A1GAAKDM4ESMN1; SMN2

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-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 US disclosed
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-9932340-B2 Substituted indoles ABBVIE INC. (US) 2018-04-03 US disclosed
US-20170349589-A9 Substituted Indoles ABBVIE INC. (US) 2017-12-07 US disclosed
US-20170174688-A1 Substituted Indoles ABBVIE INC. (US) 2017-06-22 US disclosed
CN-1058490-C Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2000-11-15 CN disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
CN-1122333-A Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 1996-05-15 CN disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 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 (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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 POLB 4667/4885MEN1 633/4885KMT2A 1299/4885
US-20170174688-A1 Substituted Indoles SUV39H2, SUV39H1, IDO1 POLB 4550/4885MEN1 183/4885KMT2A 64/4885
US-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS POLB 2312/4885MEN1 545/4885KMT2A 2128/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS POLB 2312/4885MEN1 545/4885KMT2A 2128/4885
US-20170349589-A9 Substituted Indoles SUV39H2, SUV39H1, IDO1 POLB 4550/4885MEN1 183/4885KMT2A 64/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 POLB 4667/4885MEN1 633/4885KMT2A 1299/4885

“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.