SCHEMBL4598350

SCHEMBL4598350

O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.59
▸ TSHR P16473 1/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MYOC Q99972 1/20 0.56
▸ LTA4H P09960 1/20 0.55
▸ SRD5A2 P31213 1/20 0.54
▸ IDO1 P14902 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MMP13 P45452 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ CYP2C19 P33261 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
Paranitrobenzyl Alcohol SCHEMBL114620 0.88 TSHR (0.69) TSHRIDO1ALDH1A1LOXL2AKR1C3
SCHEMBL1449170 0.86 TSHR (0.79) HSPB1TSHRMEN1KMT2ANPC1
SCHEMBL2000238 0.85 HSPB1 (0.63) HSPB1TSHRMEN1KMT2ANPC1
SCHEMBL26185836 0.84 MAOB (0.68) MEN1KMT2AMAPTMAPK1RAB9A
SCHEMBL4744348 0.84 HTR2A (0.57) TSHRKMT2AMAPTIDO1ALDH1A1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.84 HSPB1 (0.79) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL9183872 0.84 HSPB1 (0.79) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL2011179 0.84 HSPB1 (0.79) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL11689190 0.84 HSPB1 (0.79) HSPB1MEN1KMT2ANPC1MAPT
SCHEMBL17154335 0.82 POLB (0.63) TSHRMEN1KMT2AMAPTLTA4H

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 — — US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 HSPB1 2490/4885TSHR 2129/4885MEN1 4855/4885

“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.

Send feedback