SCHEMBL9955042

SCHEMBL9955042

O=C(c1cncc(B(O)O)c1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HPGD P15428 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP11B2 P19099 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ AR P10275 1/20 0.45
▸ PHGDH O43175 1/20 0.45
▸ VNN1 O95497 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29951394 0.79 EPHX2 (0.47) SMN1; SMN2HPGDALDH1A1KDM4ETSHR
SCHEMBL7354113 0.79 VNN1 (0.60) SMN1; SMN2HPGDALDH1A1KDM4ETSHR
SCHEMBL3400117 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL19682609 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL12104580 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL1558959 0.79 ALDH1A1 (0.72) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL18307171 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL8123 0.78 TSHR (0.60) HPGDALDH1A1KDM4ETSHRPKM
SCHEMBL11894194 0.77 PHGDH (0.56) SMN1; SMN2HPGDALDH1A1KDM4ETSHR
SCHEMBL15653185 0.77 SMN1; SMN2 (0.51) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10

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-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 — — US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 — — US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 — — US disclosed
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 — — EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 — — US disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 — — EP disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — 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 (4 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 SMN1; SMN2 1007/4885HPGD 3074/4885ALDH1A1 1103/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 SMN1; SMN2 1007/4885HPGD 3074/4885ALDH1A1 1103/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 SMN1; SMN2 1007/4885HPGD 3074/4885ALDH1A1 1103/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B SMN1; SMN2 1344/4885HPGD 2495/4885ALDH1A1 1397/4885

“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.

Send feedback