SCHEMBL13684196

SCHEMBL13684196

Cc1nn2c(c1C)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT1 Q99873 1/20 0.31
THRB P10828 3/20 0.31
TGFBR1 P36897 3/20 0.31
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16920699 0.98 MEN1 (0.35) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL13075463 0.93 THRB (0.35) PRMT6PRMT1THRBTGFBR1MAPK14
SCHEMBL23664362 0.79 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL19053840 0.79 PDE10A (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL38665339 0.79 ALDH1A1 (0.32) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL26340808 0.76 POLB (0.32) POLB
SCHEMBL22275427 0.75 PRMT1 (0.36) KMT2APRMT6PRMT1THRBTGFBR1
SCHEMBL26525826 0.74
SCHEMBL29777623 0.72 THRB (0.33) THRBTGFBR1MAPK14
SCHEMBL24744542 0.72 THRB (0.33) THRBTGFBR1MAPK14

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
WO-2024089170-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-05-02 WO disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
WO-2023073090-A1 IMIDAZOPYRIDINE AMIDES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2023-05-04 WO disclosed
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 US disclosed
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US 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-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, OXER1 MEN1 3149/4885ALDH1A1 1942/4885MAPT 4050/4885
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, CYP4F11 MEN1 2120/4885ALDH1A1 1436/4885MAPT 4034/4885
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYP51A1, TCOF1, DDT MEN1 1406/4885ALDH1A1 962/4885MAPT 1293/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 MEN1 4064/4885ALDH1A1 649/4885MAPT 2704/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 MEN1 4360/4885ALDH1A1 2472/4885MAPT 2646/4885

“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.