SCHEMBL6948774

SCHEMBL6948774

O=C(CCn1ccnc1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
TBXAS1 P24557 3/20 0.58
EGLN3 Q9H6Z9 1/20 0.54
CYP19A1 P11511 5/20 0.54
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NAMPT P43490 1/20 0.49
ADORA2A P29274 1/20 0.48

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
SCHEMBL6947605 0.91 TBXAS1 (0.67) POLBTBXAS1CYP19A1NPC1RAB9A
SCHEMBL11257445 0.85 TBXAS1 (0.58) TBXAS1EGLN3CYP19A1CYP11B1CYP11B2
SCHEMBL6950296 0.85 TBXAS1 (0.58) TBXAS1EGLN3CYP19A1CYP11B1CYP11B2
SCHEMBL7241260 0.84 CYP19A1 (0.72) POLBCYP19A1CYP11B1CYP11B2
SCHEMBL3255191 0.84 TBXAS1 (0.78) TBXAS1EGLN3CYP19A1
SCHEMBL6948630 0.84 NOS1 (0.56) POLBTBXAS1EGLN3CYP19A1NPC1
Hydrochloric Acid SCHEMBL408241 0.84 TBXAS1 (0.57) TBXAS1EGLN3CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL411527 0.83 TBXAS1 (0.76) TBXAS1EGLN3CYP19A1
Hydrochloric Acid SCHEMBL9996091 0.83 CYP19A1 (0.70) POLBCYP19A1CYP11B1CYP11B2
SCHEMBL11373689 0.82 TBXAS1 (0.67) TBXAS1EGLN3CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220495-A1 Inhibitors of farnesyl protein transferase ZENECA LIMITED AND ZENECA PHARMA S.A. 2003-11-27 US disclosed
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 EP disclosed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
US-5770740-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-23 US disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 US disclosed
US-5665756-A Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US disclosed
US-5648367-A ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER HOECHST MARION ROUSSEL, INC. (US) 1997-07-15 US disclosed
EP-0709378-A2 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-05-01 EP 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-20030220495-A1 Inhibitors of farnesyl protein transferase KRAS, FNTA, FNTB POLB 3866/4885TBXAS1 1494/4885EGLN3 2894/4885

“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.