SCHEMBL7414256

SCHEMBL7414256

O=[N+]([O-])/C=C/c1c(Cl)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 1.00
FBP1 P09467 15/20 0.55
VCP P55072 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXRA P19793 1/20 0.46
TERT O14746 1/20 0.44
EGFR P00533 1/20 0.42

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
SCHEMBL8040118 1.00 HSP90AA1 (1.00) HSP90AA1FBP1VCPMEN1ALDH1A1
SCHEMBL3861356 0.87 HSP90AA1 (0.77) HSP90AA1FBP1VCPALDH1A1KMT2A
SCHEMBL3861363 0.87 HSP90AA1 (0.77) HSP90AA1FBP1VCPALDH1A1KMT2A
SCHEMBL34462896 0.83 HSP90AA1 (0.70) HSP90AA1FBP1VCPALDH1A1TDP1
SCHEMBL11805779 0.82 HSP90AA1 (0.69) HSP90AA1FBP1VCPALDH1A1TDP1
SCHEMBL10513164 0.79 HSP90AA1 (0.65) HSP90AA1FBP1VCPMEN1ALDH1A1
SCHEMBL10513157 0.79 HSP90AA1 (0.65) HSP90AA1FBP1VCPMEN1ALDH1A1
SCHEMBL104148 0.78 HSP90AA1 (0.63) HSP90AA1FBP1VCPMEN1ALDH1A1
SCHEMBL29925427 0.78 HSP90AA1 (0.63) HSP90AA1FBP1VCPMEN1ALDH1A1
SCHEMBL104147 0.78 HSP90AA1 (0.63) HSP90AA1FBP1VCPMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO disclosed
US-4126685-A 6-Aryl-pyrrolo[1,2,9]imidazole derivatives which possess anti-hypertensive activity IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-11-21 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 (2 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR HSP90AA1 3237/4885FBP1 3534/4885VCP 4157/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR HSP90AA1 3237/4885FBP1 3534/4885VCP 4157/4885

“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.