SCHEMBL5850319

SCHEMBL5850319

CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc(SC)cc3)ccc21.F[B-](F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL5850212 0.87 MEN1 (0.58) MEN1LMNAMAPTTHRBHTT
SCHEMBL5852119 0.85 MEN1 (0.56) MEN1LMNAMAPTTHRBHTT
SCHEMBL5850349 0.80 MEN1 (0.53) MEN1LMNAMAPTTHRBHTT
SCHEMBL7141332 0.79 LMNA (0.49) MEN1LMNAMAPTTHRBHTT
SCHEMBL6980717 0.79 MEN1 (0.55) MEN1LMNAMAPTTHRBHTT
SCHEMBL5850480 0.78 LMNA (0.51) MEN1LMNAMAPTTHRBHTT
SCHEMBL5850405 0.78 MEN1 (0.51) MEN1LMNAMAPTTHRBHTT
SCHEMBL5850225 0.76 MAPT (0.51) MEN1LMNAMAPTTHRBHTT
SCHEMBL4614019 0.74 MAPT (0.58) MEN1LMNAMAPTTHRBHTT
SCHEMBL4616667 0.74 MAPT (0.58) MEN1LMNAMAPTTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056348-B2 5-aryl-1,3,3-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibers WELLA AG (DE) 2006-06-06 US disclosed
US-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres Wella GmbH (DE) 2003-11-20 US disclosed
EP-1280773-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES Wella Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 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 (1 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-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres INMT, KRT18, IPO5 MEN1 1991/4885LMNA 27/4885MAPT 344/4885

“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.