SCHEMBL20109317

SCHEMBL20109317

ClP1N(c2ccccc2)[C@@H]2CCCC[C@H]2N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL19367683 0.72 SMN1; SMN2 (0.36) ALDH1A1GAASMN1; SMN2LMNAMEN1
SCHEMBL16789226 0.67 SLC18A3 (0.43) SLC18A3ALDH1A1GAAL3MBTL1MBTD1
SCHEMBL8977093 0.64 GSK3A (0.39) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL17596435 0.64 SIGMAR1 (0.39) ALDH1A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL3021428 0.61 MBTD1 (0.43) SLC18A3ALDH1A1GAAL3MBTL1MBTD1
SCHEMBL15272853 0.61 USP30 (0.50) SLC18A3L3MBTL1MBTD1L3MBTL3SMN1; SMN2
SCHEMBL8646658 0.61 MBTD1 (0.43) SLC18A3ALDH1A1L3MBTL1MBTD1L3MBTL3
SCHEMBL13772148 0.61 ALDH1A1 (0.53) ALDH1A1LMNAHTTCYP2D6CYP1A2
SCHEMBL4048126 0.61 ALDH1A1 (0.53) ALDH1A1LMNAHTTCYP2D6CYP1A2
SCHEMBL27318032 0.61 BPTF (0.61) SLC18A3L3MBTL1MBTD1L3MBTL3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 SLC18A3 1529/4885ALDH1A1 4621/4885GAA 4181/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 SLC18A3 1529/4885ALDH1A1 4621/4885GAA 4181/4885

“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.