SCHEMBL2811353

SCHEMBL2811353

COc1cccc2c3c([nH]c12)CC1CCCC3N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 5/20 0.36
HCRTR1 O43613 2/20 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
SCHEMBL15869675 0.82 SIGMAR1 (0.45) SIGMAR1MAPTSMN1; SMN2L3MBTL1HTR6
SCHEMBL15869674 0.82 SIGMAR1 (0.45) SIGMAR1MAPTSMN1; SMN2L3MBTL1HTR6
SCHEMBL15869717 0.82 SIGMAR1 (0.45) SIGMAR1MAPTSMN1; SMN2L3MBTL1HTR6
SCHEMBL7409377 0.74 SIGMAR1 (0.83) SIGMAR1HTR6
Hydrochloric Acid SCHEMBL1987318 0.71 SIGMAR1 (0.59) SIGMAR1ALDH1A1KDM4EPOLBMAPT
SCHEMBL2814660 0.68 SIGMAR1 (0.60) SIGMAR1ALDH1A1KDM4EMEN1MAPT
SCHEMBL7415387 0.68 SIGMAR1 (0.85) SIGMAR1HTR6
SCHEMBL1986267 0.67 SIGMAR1 (0.53) SIGMAR1HTR6
SCHEMBL28325027 0.66 KDM4E (0.62) NQO2ALDH1A1KDM4EMEN1POLB
SCHEMBL11754582 0.65 GFER (0.54) NQO2ALDH1A1KDM4EMEN1POLB

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-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US disclosed
US-9063126-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2015-06-23 US disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 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 (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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885NQO2 519/4885ALDH1A1 1307/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885NQO2 519/4885ALDH1A1 1307/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885NQO2 519/4885ALDH1A1 1307/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885NQO2 519/4885ALDH1A1 1307/4885

“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.