SCHEMBL7540210

SCHEMBL7540210

CCCC#Cc1ccc(OC)cc1C(=O)N1CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
CYP19A1 P11511 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 3/20 0.35
ACACB O00763 2/20 0.35
USP2 O75604 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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 SCHEMBL7602198 0.99 HRH3 (0.36) HRH3CYP19A1KCNK3KCNK9SMN1; SMN2
SCHEMBL7486094 0.88 PRKAB2 (0.37) HRH3CYP19A1KCNK3KCNK9SMN1; SMN2
Hydrochloric Acid SCHEMBL7485157 0.88 PRKAB2 (0.37) HRH3KCNK3KCNK9SMN1; SMN2TSHR
SCHEMBL7587917 0.85 FNTA (0.41) HRH3CYP19A1CYP2D6KDM1A
SCHEMBL7186697 0.77 FNTA (0.47)
SCHEMBL7587632 0.77 KMT2A (0.41) SMN1; SMN2TSHRUSP2KDM4EALDH1A1
SCHEMBL7594805 0.76 FASN (0.45) SMN1; SMN2TSHRUSP2CYP2C9CYP1A2
SCHEMBL7481462 0.76 PRKAA2 (0.39) HRH3CYP19A1SMN1; SMN2ACACBUSP2
Hydrochloric Acid SCHEMBL7570753 0.76 KMT2A (0.41) SMN1; SMN2TSHRUSP2PRKAA2KDM4E
SCHEMBL7543174 0.76 FASN (0.38) ACACBPRKAA2FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 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 HRH3 4170/4885CYP19A1 2104/4885KCNK3 4378/4885

“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.