SCHEMBL3103814

SCHEMBL3103814

CC(C)(C)N(Cl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNN4 O15554 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.32
TSHR P16473 3/20 0.32

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
SCHEMBL1965021 0.74 ALDH1A1 (0.38) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3876432 0.73 KMT2A (0.47) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3380721 0.73 KMT2A (0.43) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2119818 0.72 MEN1 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL45354 0.72 MEN1 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2056786 0.72 MEN1 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19
Chloromethane SCHEMBL2149583 0.71 ALDH1A1 (0.57) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL95298 0.70 MEN1 (0.44) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3108688 0.69
SCHEMBL29085409 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 WO disclosed
US-4035375-A N-Substituted amino pyridines and derivatives thereof THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1977-07-12 US disclosed
US-3985756-A Process for producing azasulfonium salts and rearrangement thereof to thio-ethers THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-10-12 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 (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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KMT2A 1920/4885MEN1 4729/4885CYP3A4 2927/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KMT2A 1920/4885MEN1 4729/4885CYP3A4 2927/4885

“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.