SCHEMBL19851055

SCHEMBL19851055

c1ccc(CCNc2nc(-c3cccnc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 1.00
NPC1 O15118 8/20 1.00
ALDH1A1 P00352 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
MAPT P10636 4/20 1.00
KDM4E B2RXH2 1/20 0.76
GAA P10253 1/20 0.76
HTT P42858 1/20 0.76
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 2/20 0.60
ROCK2 O75116 2/20 0.58
AURKB Q96GD4 1/20 0.58
CYP19A1 P11511 1/20 0.58

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
SCHEMBL19851081 0.91 ALDH1A1 (0.83) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL206058 0.90 RAB9A (0.81) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27754680 0.88 MAPT (0.79) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
Fanetizole SCHEMBL1813401 0.88 GAA (0.86) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL205694 0.87 RAB9A (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
Fanetizole SCHEMBL11365554 0.86 GAA (0.84) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL12297576 0.85 GAA (0.82) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6962738 0.83 ALDH1A1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL207261 0.82 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
Fanetizole SCHEMBL287000 0.82 GAA (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947207-B2 GP130 modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-16 US disclosed
US-10947207-B2 GP130 modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-16 US disclosed
US-20190292161-A1 GP130 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-26 US disclosed
US-20190292161-A1 GP130 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-26 US disclosed
WO-2018027193-A1 GP130 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-08 WO 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-20190292161-A1 GP130 MODULATORS GRIN2A, GRIA4, GRIA3 RAB9A 2645/4885NPC1 1149/4885ALDH1A1 2676/4885
US-10947207-B2 GP130 modulators GRIN2A, GRIA4, GRIA3 RAB9A 2645/4885NPC1 1149/4885ALDH1A1 2676/4885

“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.