SCHEMBL4548632

SCHEMBL4548632

CC(C)(C)c1ccc2ncc(C(C)(C)C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 8/20 0.42
KCNH2 Q12809 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PDE10A Q9Y233 1/20 0.40
METAP2 P50579 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX5AP P20292 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 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
SCHEMBL24654867 0.89 KIF11 (0.42) SCN10AKCNH2TRPV1PDE10AMETAP2
SCHEMBL19008535 0.86 CYP1A2 (0.53) SCN10AKCNH2TRPV1PDE10AMETAP2
SCHEMBL23479219 0.86 ALDH1A1 (0.47) TRPV1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1695518 0.86 TRPV1 (0.40) SCN10AKCNH2TRPV1PDE10AMETAP2
SCHEMBL23479353 0.85 TNKS (0.40) KCNH2TRPV1ALDH1A1
SCHEMBL23478912 0.85 HRH4 (0.38) TRPV1ALDH1A1HPGDHSD17B10
SCHEMBL21863358 0.85 SCN10A (0.38) SCN10AKCNH2TRPV1PDE10AMETAP2
SCHEMBL7733556 0.85 SCN10A (0.41) SCN10AKCNH2TRPV1PDE10AMETAP2
SCHEMBL20515366 0.82 EGFR (0.54) TRPV1TDP1NPC1RAB9AMEN1
SCHEMBL16203494 0.82 PDGFRB (0.55) ALDH1A1HPGDNPC1RAB9AMEN1

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-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 US disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 US disclosed
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (6 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-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR SCN10A 4001/4885KCNH2 4787/4885TRPV1 3943/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SCN10A 4104/4885KCNH2 4777/4885TRPV1 3758/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET SCN10A 4439/4885KCNH2 4774/4885TRPV1 3658/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 SCN10A 4104/4885KCNH2 4777/4885TRPV1 3758/4885
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 SCN10A 3114/4885KCNH2 4630/4885TRPV1 891/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR SCN10A 4001/4885KCNH2 4787/4885TRPV1 3943/4885

“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.