SCHEMBL9967128

SCHEMBL9967128

CCOC(=O)C1=Cc2cc(Br)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 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
SCHEMBL13088390 0.83 LMNA (0.47) SMN1; SMN2ALDH1A1LMNATLR8TLR7
SCHEMBL10325225 0.79 TLR8 (0.53) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL3567927 0.79 TSHR (0.49) ALDH1A1GABRA1GABRB1GABRA3GABRB2
SCHEMBL13088391 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL25229975 0.78 KDM4E (0.36) ALDH1A1TLR8TLR7MEN1MAPT
SCHEMBL5209600 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
Hydrochloric Acid SCHEMBL3567925 0.78 TSHR (0.47) ALDH1A1GABRA1GABRB1GABRA3GABRB2
SCHEMBL19398238 0.78 TLR8 (0.49) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL3093660 0.77 SRD5A1 (0.40) SMN1; SMN2ALDH1A1LMNAMEN1MAPT
SCHEMBL3032882 0.77 TLR8 (0.61) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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 (2 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-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 SMN1; SMN2 4388/4885ALDH1A1 388/4885GABRA1 623/4885
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 SMN1; SMN2 4073/4885ALDH1A1 311/4885GABRA1 3918/4885

“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.