SCHEMBL6795273

SCHEMBL6795273

O=C(O)c1ccc(CCC[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
SRD5A2 P31213 1/20 0.44
TBXAS1 P24557 2/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FBP1 P09467 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL10785469 0.95 RARB (0.54) RARBALDH1A1MAPTMEN1RARA
SCHEMBL3390982 0.89 TDP1 (0.52) RARBALDH1A1MAPTMEN1RARA
SCHEMBL1290446 0.84 TSHR (0.50) MAPTKMT2ATSHRHSD17B10CA2
SCHEMBL4247215 0.84 HSD17B10 (0.57) RARBMAPTMEN1KMT2AHSD17B10
SCHEMBL133470 0.80 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL371605 0.80 RARB (0.71) RARBALDH1A1MAPTMEN1RARA
SCHEMBL27765863 0.79 ESR1 (0.50) ALDH1A1KMT2ATDP1TBXAS1TP53
SCHEMBL1170894 0.79 SIGMAR1 (0.49) MAPTTDP1HDAC8CA2
SCHEMBL9472454 0.78 RARB (0.72) RARBALDH1A1MAPTMEN1RARA
SCHEMBL28873230 0.78 RARB (0.72) RARBALDH1A1MAPTMEN1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US disclosed
US-6127398-A Substituted indazole derivatives and related compounds PFIZER INC (US) 2000-10-03 US 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-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B RARB 1595/4885ALDH1A1 2163/4885MAPT 2625/4885

“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.