SCHEMBL17347307

SCHEMBL17347307

CNC12CC3CC(C1)CC(c1ccc(N)cc1)(C3)C2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
LMNA P02545 4/20 0.59
PGR P06401 3/20 0.56
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 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
SCHEMBL18841462 0.84 ALDH1A1 (0.56) ALDH1A1LMNAPGRKMT2AMEN1
SCHEMBL2708459 0.83 ALDH1A1 (0.77) ALDH1A1LMNAPGRKMT2AMEN1
SCHEMBL1150339 0.79 KMT2A (0.46) ALDH1A1LMNAPGRKMT2AMEN1
SCHEMBL399431 0.75 ALDH1A1 (1.00) ALDH1A1LMNAPGRKMT2AMEN1
SCHEMBL2710493 0.74 ALDH1A1 (0.64) ALDH1A1LMNAPGRKMT2AMEN1
Hydrochloric Acid SCHEMBL1983434 0.74 LMNA (0.96) ALDH1A1LMNAPGRKMT2AMEN1
SCHEMBL3542741 0.73 ALDH1A1 (0.57) ALDH1A1LMNAPGRKMT2AMEN1
Aniline SCHEMBL28113229 0.71 GRIN2D (0.59) ALDH1A1LMNAKMT2AMEN1GRIN2D
SCHEMBL4132620 0.71 GRIN2D (0.70) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22453165 0.70 ALDH1A1 (0.79) ALDH1A1LMNAPGRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 US disclosed
WO-2015192037-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BUSATH DAVID D (US) 2015-12-17 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 (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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 ALDH1A1 3851/4885LMNA 2459/4885PGR 2643/4885

“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.