SCHEMBL16633168

SCHEMBL16633168

CN(C)c1ccc(N2CN(c3ccc(N(C)C)cc3)CN(c3ccc(N(C)C)cc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
TSHR P16473 4/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 5/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL16640899 0.91 ALDH1A1 (0.62) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL19213224 0.89 ALDH1A1 (0.44) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL17384394 0.88 SLC2A1 (0.44) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL18068758 0.88 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL19213223 0.88 RELA (0.57) ALDH1A1ALOX15KDM4EMAPTGAA
SCHEMBL17366458 0.86 ALDH1A1 (0.41) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL2201868 0.81 ALDH1A1 (0.51) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL30408019 0.81 ALDH1A1 (0.51) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL9871286 0.80 KDM4E (0.41) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL9030925 0.79 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10KDM4E

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447507-B2 Sulfur scavenging materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-09-20 US disclosed
US-10604539-B2 Sulfur scavenging materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-03-31 US disclosed
US-10336914-B2 Hexahydrotriazine hybrid coatings for sulfur capture INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-07-02 US disclosed
US-20190135839-A1 SULFUR SCAVENGING MATERIALS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-05-09 US disclosed
US-9951184-B2 Methods of preparing polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-9951184-B2 Methods of preparing polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-20170114249-A1 HEXAHYDROTRIAZINE HYBRID COATINGS FOR SULFUR CAPTURE INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-04-27 US disclosed
US-20170114249-A1 HEXAHYDROTRIAZINE HYBRID COATINGS FOR SULFUR CAPTURE INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-04-27 US disclosed
US-9610535-B2 Sulfur scavenging materials for filters and coatings INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-04 US disclosed
US-9598608-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 US disclosed
US-9139698-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-22 US disclosed
US-9139698-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-22 US disclosed
US-9120897-B1 Preparation of thioether polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-9120897-B1 Preparation of thioether polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-9120897-B1 Preparation of thioether polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-9120899-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-9120899-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-9120899-B1 Preparation of functional polysulfones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
WO-2015051715-A1 METHODS OF PREPARING POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-04-16 WO disclosed
US-20150104579-A1 METHODS OF PREPARING POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-04-16 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 (3 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-20190135839-A1 SULFUR SCAVENGING MATERIALS TST, MPST, MGMT ALDH1A1 974/4885TSHR 1867/4885ALOX15 263/4885
US-10604539-B2 Sulfur scavenging materials TST, MPST, MGMT ALDH1A1 974/4885TSHR 1867/4885ALOX15 263/4885
US-11447507-B2 Sulfur scavenging materials TST, MPST, MGMT ALDH1A1 974/4885TSHR 1867/4885ALOX15 263/4885

“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.