SCHEMBL6403631

SCHEMBL6403631

[CH2]Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
TSHR P16473 4/20 0.46
LMNA P02545 4/20 0.46
VCAM1 P19320 1/20 0.45
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 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
SCHEMBL6742072 0.86 MAPT (0.46) CYP19A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL15542723 0.81 ALDH1A1 (0.43) CYP19A1TSHRLMNACYP3A4ALDH1A1
SCHEMBL6740474 0.81 VCAM1 (0.67) CYP19A1TSHRVCAM1MEN1KMT2A
SCHEMBL5254416 0.80 CYP19A1 (0.59) CYP19A1TSHRLMNAVCAM1CYP3A4
Formaldehyde SCHEMBL27742852 0.79 CYP19A1 (0.72) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL212845 0.79 CYP19A1 (0.81) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL132215 0.79 TSHR (0.67) TSHRLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL7492090 0.79 CYP19A1 (0.46) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL11494117 0.78 CYP19A1 (0.56) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL3852248 0.76 CYP19A1 (0.54) CYP19A1TSHRLMNAVCAM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. 2005-12-08 US disclosed
CN-86102877-A The method for preparing bicyclic pyrazolidinones 1986-10-29 CN 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-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, WEE1, CYP51A1 CYP19A1 150/4885TSHR 4000/4885LMNA 1326/4885

“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.