SCHEMBL9945330

SCHEMBL9945330

Clc1ccc(C(c2ccc(Cl)cc2)n2ccnn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 1.00
CYP2C19 P33261 1/20 0.50
NOTUM Q6P988 2/20 0.48
CYP2D6 P10635 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL9965135 0.82 CYP19A1 (0.70) CYP19A1CYP2C19NOTUMCYP2D6
SCHEMBL9945323 0.81 CYP19A1 (0.68) CYP19A1CYP2C19NOTUM
SCHEMBL5865736 0.80 CYP19A1 (1.00) CYP19A1
SCHEMBL10568092 0.79 CYP19A1 (0.65) CYP19A1CYP2C19NOTUMADRB2
SCHEMBL27851957 0.78 CYP19A1 (0.63) CYP19A1CYP2C19NOTUM
SCHEMBL10362139 0.78 CYP19A1 (0.63) CYP19A1CYP2C19NOTUM
SCHEMBL9945342 0.77 CYP19A1 (1.00) CYP19A1CYP2C19
SCHEMBL10564810 0.73 CYP19A1 (0.57) CYP19A1CYP2C19NOTUMADRB2
SCHEMBL406304 0.72 CYP19A1 (0.55) CYP19A1CYP2C19NOTUMCYP2D6
SCHEMBL9945331 0.72 CYP19A1 (0.58) CYP19A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845227-A ANTITUMOR, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1989-07-04 US claimed
EP-0165778-B1 AROMATASE INHIBITING 1,2,3-TRIAZOL-1-YL, TETRAZOL-1-YL, AND TETRAZOL-2-YL COMPOUNDS ELI LILLY AND COMPANY (US) 1989-02-15 EP claimed
US-4801594-A AZOLES, ANTIESTROGEN, ANTICARCINOGENIC ELI LILLY AND COMPANY (US) 1989-01-31 US claimed
EP-0165778-A1 Aromatase inhibiting 1,2,3-triazol-1-yl, tetrazol-1-yl, and tetrazol-2-yl compounds ELI LILLY AND COMPANY (US) 1985-12-27 EP claimed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-4845227-A ANTITUMOR, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1989-07-04 US disclosed
EP-0165778-B1 AROMATASE INHIBITING 1,2,3-TRIAZOL-1-YL, TETRAZOL-1-YL, AND TETRAZOL-2-YL COMPOUNDS ELI LILLY AND COMPANY (US) 1989-02-15 EP disclosed
US-4801594-A AZOLES, ANTIESTROGEN, ANTICARCINOGENIC ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
EP-0165778-A1 Aromatase inhibiting 1,2,3-triazol-1-yl, tetrazol-1-yl, and tetrazol-2-yl compounds ELI LILLY AND COMPANY (US) 1985-12-27 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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP19A1 898/4885CYP2C19 691/4885NOTUM 1126/4885

“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.