SCHEMBL4089919

SCHEMBL4089919

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PTBP1 P26599 1/20 0.50
CYP11B2 P19099 1/20 0.46
GRM4 Q14833 1/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.43
SMO Q99835 2/20 0.43
BDKRB1 P46663 1/20 0.43

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
Hydrochloric Acid SCHEMBL4096059 0.99 RAB9A (0.49) RAB9ASMN1; SMN2LMNATP53GAA
SCHEMBL1473951 0.87 NPC1 (0.54) RAB9ASMN1; SMN2LMNATP53GAA
Hydrochloric Acid SCHEMBL1471256 0.86 NPC1 (0.53) RAB9ASMN1; SMN2LMNATP53GAA
SCHEMBL244941 0.86 PTPN11 (0.46) RAB9ASMN1; SMN2GAANPC1ALDH1A1
Hydrochloric Acid SCHEMBL247568 0.85 PTPN11 (0.45) RAB9ASMN1; SMN2GAANPC1ALDH1A1
SCHEMBL4095632 0.85 KMT2A (0.53) RAB9ASMN1; SMN2LMNATP53GAA
SCHEMBL2063619 0.85 ALKBH1 (0.50) RAB9AKMT2ANPC1
Hydrochloric Acid SCHEMBL4089952 0.84 KMT2A (0.52) RAB9ASMN1; SMN2LMNATP53GAA
Hydrochloric Acid SCHEMBL2063475 0.84 ALKBH1 (0.49) RAB9AKMT2ANPC1
SCHEMBL1150146 0.83 CRACR2A (0.47) RAB9ALMNATP53NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-08-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE CHRNA2, CHRNA6, CHRNA3 RAB9A 2092/4885SMN1; SMN2 279/4885LMNA 2570/4885

“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.