SCHEMBL14537799

SCHEMBL14537799

O=C(Cl)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ TSHR P16473 2/20 0.62
▸ MAPT P10636 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CES1 P23141 3/20 0.45
▸ CES2 O00748 2/20 0.45
▸ PDE7A Q13946 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL6702285 0.87 TP53 (0.61) MAPTMEN1KMT2AHPGDHTT
SCHEMBL13265968 0.85 TSHR (0.62) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2200367 0.85 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7134396 0.82 HPGD (0.47) ALDH1A1TSHRHPGDLMNAKDM4E
SCHEMBL3197561 0.82 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10923911 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL206387 0.77 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL30006288 0.77 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1302830 0.77 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1CES1CES2
SCHEMBL24155822 0.75 MAPT (0.54) ALDH1A1TSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 ALDH1A1 4359/4885TSHR 4711/4885MAPT 2825/4885

“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.

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