SCHEMBL19225149

SCHEMBL19225149

CCCCCCCC(CCCC)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
NAAA Q02083 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
DNM1 Q05193 2/20 0.37
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18638701 1.00 NR1I2 (0.45) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL19560021 0.98 ALDH1A1 (0.45) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL18635879 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL9227674 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL3443068 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL18559449 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL9227794 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL18559615 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL19513573 0.98 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA
SCHEMBL18559574 0.96 ALDH1A1 (0.46) NR1I2ALDH1A1MAPTPOLBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905252-B2 Compounds INFLAZOME LIMITED (IE) 2024-02-20 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20210347737-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-11-11 US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-09-03 US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 US disclosed
US-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 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 (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-11905252-B2 Compounds NLRP3, NOD1, PYCARD NR1I2 938/4885ALDH1A1 559/4885MAPT 1345/4885
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 NR1I2 647/4885ALDH1A1 1328/4885MAPT 4568/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 NR1I2 647/4885ALDH1A1 1328/4885MAPT 4568/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NR1I2 1237/4885ALDH1A1 2123/4885MAPT 2169/4885
US-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors JAK3, JAK1, JAK2 NR1I2 2341/4885ALDH1A1 3413/4885MAPT 3547/4885
US-20210347737-A1 NOVEL COMPOUNDS NOD1, NLRP3, NOD2 NR1I2 753/4885ALDH1A1 1032/4885MAPT 1444/4885

“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.