SCHEMBL9989481

SCHEMBL9989481

O=[N+]([O-])c1ccccc1-c1ccc2c(-c3ccc(-c4ccccc4)cc3)cccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ MAOA P21397 1/20 0.46
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HPRT1 P00492 2/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ EIF4E P06730 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ GUSB P08236 1/20 0.40

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
SCHEMBL3275990 0.84 TDP1 (0.56) TDP1ALDH1A1MAOACRHBPCRHR2
SCHEMBL15823175 0.84 HPRT1 (0.59) TDP1ALDH1A1TSHRHPRT1CASP6
SCHEMBL2958562 0.83 ALDH1A1 (0.92) TDP1ALDH1A1CRHBPCRHR2TSHR
SCHEMBL17841982 0.82 HPRT1 (0.62) TDP1ALDH1A1TSHRHPRT1CASP6
SCHEMBL4142462 0.81 TDP1 (0.75) TDP1ALDH1A1MAOACRHBPCRHR2
Biphenyl SCHEMBL7209601 0.81 ALDH1A1 (0.96) TDP1ALDH1A1CRHBPCRHR2TSHR
SCHEMBL14979389 0.80 ALDH1A1 (0.61) TDP1ALDH1A1MAOACA1CA2
SCHEMBL15055251 0.80 ALDH1A1 (0.66) TDP1ALDH1A1HPRT1ADORA1MAPT
SCHEMBL598398 0.79 HSD17B1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL44392 0.79 ALDH1A1 (1.00) TDP1ALDH1A1CRHBPCRHR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — WO disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 TDP1 3023/4885ALDH1A1 3775/4885MAOA 3836/4885

“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