SCHEMBL15813619

SCHEMBL15813619

Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
MAPT P10636 8/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 1/20 0.57
XBP1 P17861 1/20 0.47
KMT2A Q03164 5/20 0.44
TP53 P04637 4/20 0.44
MEN1 O00255 4/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
MITF O75030 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
NR1H4 Q96RI1 2/20 0.41

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
SCHEMBL4681659 0.84 NPY5R (0.46) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL17291062 0.81 MAPT (0.49) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL13974502 0.79 MAPT (0.66) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10112053 0.78 SMN1; SMN2 (0.59) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2411656 0.78 MEN1 (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10112206 0.78 MAPT (0.56) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL13860592 0.78 ESRRA (0.53) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL167998 0.77 SMN1; SMN2 (0.56) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5303980 0.76 ALDH1A1 (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4688310 0.76 KDM4E (0.55) MAPTNPSR1XBP1LMNAKDM4E

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-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 RAB9A 3351/4885NPC1 706/4885MAPT 4520/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 RAB9A 1480/4885NPC1 2456/4885MAPT 494/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 RAB9A 1480/4885NPC1 2456/4885MAPT 494/4885

“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.