SCHEMBL16259489

SCHEMBL16259489

CNC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.44
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
CNR1 P21554 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL16259491 0.90 MAPT (0.55) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL28854422 0.82 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL7951394 0.82 MAPT (1.00) MAPTALDH1A1KMT2AHTTRAB9A
SCHEMBL13155174 0.82 HDAC8 (0.59) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL2346923 0.81 GPR35 (0.47) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL10201044 0.80 NPC1 (0.68) MAPTALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL14200242 0.79 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL16448816 0.79 SMN1; SMN2 (0.62) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7758352 0.78 KIF11 (0.59) MAPTALDH1A1NPC1HDAC3HDAC6
SCHEMBL27799352 0.76 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640462-B2 Oil gelator NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2020-05-05 US disclosed
US-9085548-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-21 US disclosed
US-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-19 US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 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-10640462-B2 Oil gelator MGLL, CCNL2, CCNI MAPT 3832/4885ALDH1A1 593/4885SMN1; SMN2 3638/4885
US-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA MAPT 642/4885ALDH1A1 4300/4885SMN1; SMN2 4506/4885
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA MAPT 642/4885ALDH1A1 4300/4885SMN1; SMN2 4506/4885

“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.