SCHEMBL7081887

SCHEMBL7081887

Brc1cc(Cc2ccccc2)cc(Cn2cncn2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.64
LMNA P02545 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
UGT1A4 P22310 1/20 0.41
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6480049 0.83 CYP19A1 (0.60) CYP19A1LMNAHDAC1HDAC6
SCHEMBL305624 0.80 CYP19A1 (0.65) CYP19A1HDAC1HDAC6SMN1; SMN2
SCHEMBL7079785 0.80 CYP19A1 (0.56) CYP19A1LMNAHDAC1HDAC6UGT1A4
SCHEMBL2917482 0.79 CYP19A1 (1.00) CYP19A1LMNAHDAC1HDAC6NPC1
Hydrochloric Acid SCHEMBL9382670 0.78 CYP19A1 (0.96) CYP19A1LMNAHDAC1HDAC6NPC1
SCHEMBL7073644 0.76 HDAC1 (0.53) CYP19A1LMNAHDAC1HDAC6
SCHEMBL10172755 0.76 CYP19A1 (0.49) CYP19A1HDAC1HDAC6UGT1A4PDE4D
SCHEMBL7674614 0.76 CYP19A1 (0.59) CYP19A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL14496521 0.74 CYP19A1 (0.57) CYP19A1LMNAHDAC1HDAC6
SCHEMBL7078148 0.74 CYP19A1 (0.64) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 CYP19A1 180/4885LMNA 3637/4885HDAC1 731/4885

“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.