SCHEMBL7484603

SCHEMBL7484603

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 2/20 0.45
KCNH2 Q12809 2/20 0.45
TSHR P16473 1/20 0.42
GRIN2B Q13224 1/20 0.42
SCN9A Q15858 7/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37

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
SCHEMBL7483971 0.84 FNTA (0.47) ALDH1A1MEN1KMT2ACYP19A1
Hydrochloric Acid SCHEMBL7482278 0.83 FNTA (0.47) ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL7483540 0.82 FNTA (0.35) SCN7AKCNH2TSHRSCN9AALDH1A1
SCHEMBL7485633 0.82 CHRM2 (0.38) TSHRRAB9ASMN1; SMN2ALDH1A1AKT1
SCHEMBL7156162 0.82 CYP19A1 (0.42) DPP4CYP19A1
Hydrochloric Acid SCHEMBL7743229 0.81 FNTA (0.35) SCN7AKCNH2TSHRSCN9AALDH1A1
SCHEMBL7480437 0.80 CHRM2 (0.38) TSHRALDH1A1
SCHEMBL7587632 0.80 KMT2A (0.41) TSHRGAARAB9AMAPK1SMN1; SMN2
SCHEMBL7487078 0.80 ALDH1A1 (0.49) TSHRRAB9AALDH1A1AKT1AKT2
SCHEMBL7481462 0.79 PRKAA2 (0.39) SCN9ASMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538121-A 2002-11-12 JP claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP claimed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO., INC. (US) 2000-09-08 WO claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US disclosed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP disclosed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO., INC. (US) 2000-09-08 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 (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-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 SCN7A 4131/4885KCNH2 4563/4885TSHR 2553/4885

“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.