SCHEMBL17669679

SCHEMBL17669679

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCN1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.46
SIGMAR1 Q99720 3/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
TDP2 O95551 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR7 P34969 2/20 0.39
CYP19A1 P11511 1/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL17652726 0.95 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDSIGMAR1GALR3
SCHEMBL17669681 0.90 KMT2A (0.50) ALDH1A1SMN1; SMN2KCNJ1KMT2A
SCHEMBL17652589 0.83 SIGMAR1 (0.42) ALDH1A1SIGMAR1HTR7
SCHEMBL12448363 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL5105861 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDRAB9ATDP1
SCHEMBL10572672 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDGALR3NR2F2
SCHEMBL31195234 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTDP1CYP19A1
SCHEMBL31195232 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTDP1CYP19A1
SCHEMBL17652975 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SIGMAR1KMT2A
SCHEMBL17652813 0.73 KMT2A (0.53) ALDH1A1SMN1; SMN2KCNJ1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941115-B2 Kinase inhibitors OXULAR ACQUISITIONS LIMITED (GB) 2021-03-09 US disclosed
US-20190330155-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2019-10-31 US disclosed
US-10392346-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-08-27 US disclosed
US-10125100-B2 Kinase inhibitors RESPIVERT LIMITED 2018-11-13 US disclosed
US-20180319748-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-11-08 US disclosed
US-20170253563-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-09-07 US disclosed
US-9751837-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-09-05 US disclosed
US-20160102059-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-04-14 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 (7 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-20180319748-A1 KINASE INHIBITORS LYN, SYK, BTK ALDH1A1 4056/4885SMN1; SMN2 4346/4885HPGD 4567/4885
US-10125100-B2 Kinase inhibitors SYK, LYN, SRC ALDH1A1 4454/4885SMN1; SMN2 3903/4885HPGD 4518/4885
US-20190330155-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 4377/4885SMN1; SMN2 4531/4885HPGD 4040/4885
US-10941115-B2 Kinase inhibitors SYK, LYN, BTK ALDH1A1 4377/4885SMN1; SMN2 4531/4885HPGD 4040/4885
US-20160102059-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 4380/4885SMN1; SMN2 4459/4885HPGD 4103/4885
US-20170253563-A1 KINASE INHIBITORS SYK, LYN, SRC ALDH1A1 4454/4885SMN1; SMN2 3903/4885HPGD 4518/4885
US-10392346-B2 Kinase inhibitors LYN, SYK, BTK ALDH1A1 4056/4885SMN1; SMN2 4346/4885HPGD 4567/4885

“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.