SCHEMBL2890291

SCHEMBL2890291

O=C(Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PHGDH O43175 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KCNMA1 Q12791 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
G6PD P11413 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
GRM5 P41594 1/20 0.49

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
SCHEMBL2891031 0.80 PYGL (0.68) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL2890785 0.79 PYGL (0.60) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL2892435 0.79 L3MBTL1 (0.55) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL30236947 0.78 MAPT (0.78) MAPTSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL5226448 0.78 MAPT (0.78) MAPTSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL12189440 0.78 MAPT (0.58) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL394289 0.77 KCNMA1 (0.79) SMN1; SMN2ALDH1A1PHGDHCYP1A2CYP2C9
SCHEMBL641831 0.77 HPGD (0.65) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL10961250 0.76 TDP1 (0.63) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL8109117 0.75 MEN1 (0.64) MAPTSMN1; SMN2TDP1LMNAALDH1A1

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-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 MAPT 4877/4885SMN1; SMN2 4254/4885TDP1 3964/4885

“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.