SCHEMBL934512

SCHEMBL934512

Cc1ccc(N(N)CCc2ccc(Cl)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
AOC3 Q16853 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL121248 0.85 TSHR (0.39) GAASMN1; SMN2LMNACHRNA7
Hydrochloric Acid SCHEMBL119950 0.84 TSHR (0.38) GAASMN1; SMN2LMNACHRNA7
SCHEMBL121734 0.79 AOC3 (0.46) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL1711026 0.79 SMN1; SMN2 (0.43) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL123261 0.79 DAO (0.40) ALDH1A1
Hydrochloric Acid SCHEMBL3656404 0.78 AOC3 (0.45) GAASMN1; SMN2LMNAAOC3
SCHEMBL1120478 0.78 SMN1; SMN2 (0.38) GAASMN1; SMN2LMNAAOC3MAPT
SCHEMBL1120383 0.76 AOC3 (0.45) KDM4EGAASMN1; SMN2LMNAL3MBTL1
SCHEMBL991930 0.73 AOC3 (0.58) GAASMN1; SMN2LMNAAOC3
SCHEMBL6488095 0.73 AOC3 (0.50) L3MBTL1AOC3

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-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
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO 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 ALDH1A1 1307/4885KDM4E 1720/4885GAA 3876/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ALDH1A1 1307/4885KDM4E 1720/4885GAA 3876/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ALDH1A1 1307/4885KDM4E 1720/4885GAA 3876/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ALDH1A1 1307/4885KDM4E 1720/4885GAA 3876/4885

“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.