SCHEMBL901464

SCHEMBL901464

NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.66
MC5R P33032 2/20 0.65
MC1R Q01726 2/20 0.65
ECE1 P42892 3/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
BRS3 P32247 1/20 0.55

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
SCHEMBL27923213 1.00 KCNT1 (0.66) KCNT1MC5RMC1RECE1KDM4E
Trifluoroacetic Acid SCHEMBL13723646 0.93 KCNT1 (0.59) KCNT1MC5RMC1RECE1MAPT
Trifluoroacetic Acid SCHEMBL27959205 0.93 KCNT1 (0.59) KCNT1MC5RMC1RECE1MAPT
Trifluoroacetic Acid SCHEMBL27941817 0.91 KCNT1 (0.57) KCNT1MC5RMC1RECE1KDM4E
Trifluoroacetic Acid SCHEMBL15284580 0.91 KCNT1 (0.57) KCNT1MC5RMC1RECE1KDM4E
SCHEMBL29810269 0.90 KCNT1 (0.69) KCNT1KDM4EMEN1LMNAMPO
SCHEMBL9583736 0.90 KCNT1 (0.69) KCNT1KDM4EMEN1LMNAMPO
SCHEMBL8705016 0.90 KCNT1 (0.69) KCNT1KDM4EMEN1LMNAMPO
SCHEMBL900917 0.90 KCNT1 (0.69) KCNT1KDM4EMEN1LMNAMPO
SCHEMBL29459408 0.86 MC5R (0.84) KCNT1MC5RMC1RECE1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621508-B1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF SEATTLE GENETICS INC (US) 2015-08-26 EP disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 US disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
EP-2621508-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF Seattle Genetics, Inc. (US) 2013-08-07 EP disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 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 (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-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF HDGF, HGF, HGFAC KCNT1 3176/4885MC5R 853/4885MC1R 833/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF KCNT1 2832/4885MC5R 895/4885MC1R 898/4885

“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.