SCHEMBL9868328

SCHEMBL9868328

O=C(O)c1ccc(Br)c2c1OCCC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
XDH P47989 3/20 0.34
SLC22A12 Q96S37 2/20 0.34
HSD17B10 Q99714 3/20 0.33
ERN1 O75460 1/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GFER P55789 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL17873251 0.90 XDH (0.40) SMN1; SMN2XDHSLC22A12HSD17B10ERN1
SCHEMBL7391414 0.82 RXRA (0.39) SMN1; SMN2XDHSLC22A12HSD17B10KDM4E
SCHEMBL6568411 0.81 SMN1; SMN2 (0.38) SMN1; SMN2XDHSLC22A12HSD17B10CYP1A2
SCHEMBL7387063 0.81 ALDH1A1 (0.41) SMN1; SMN2XDHSLC22A12HSD17B10KDM4E
SCHEMBL11125642 0.77 XDH (0.40) SMN1; SMN2XDHSLC22A12TSHRALDH1A1
SCHEMBL5318231 0.77 SMN1; SMN2 (0.45) SMN1; SMN2KDM4E
SCHEMBL7334483 0.76 ALDH1A1 (0.37) SMN1; SMN2XDHSLC22A12KDM4EPARP1
SCHEMBL24969045 0.76 MAOA (0.33)
SCHEMBL134045 0.75 XDH (0.44) SMN1; SMN2XDHSLC22A12HSD17B10CYP1A2
SCHEMBL2965600 0.75 HSD17B10 (0.46) SMN1; SMN2HSD17B10KDM4ETSHRNPC1

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
CN-112996786-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-08-20 CN disclosed
US-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
EP-3873897-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112996786-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-18 CN disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 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 (3 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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 SMN1; SMN2 1977/4885XDH 3647/4885SLC22A12 2685/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 SMN1; SMN2 1977/4885XDH 3647/4885SLC22A12 2685/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 1977/4885XDH 3647/4885SLC22A12 2685/4885

“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.