SCHEMBL2490517

SCHEMBL2490517

CCN(c1ccccc1)c1c([N+](=O)[O-])ccc2nonc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.51
▸ MEN1 O00255 10/20 0.51
▸ GSTP1 P09211 5/20 0.44
▸ GSTM2 P28161 5/20 0.44
▸ USP2 O75604 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MYC P01106 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 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
SCHEMBL6831372 0.80 MEN1 (0.70) KMT2AMEN1GSTP1GSTM2USP2
SCHEMBL18138718 0.68 ALDH1A1 (0.43) KMT2AMEN1HTTALDH1A1HSD17B10
SCHEMBL1076589 0.68 MEN1 (0.60) KMT2AMEN1GSTP1GSTM2USP2
SCHEMBL7073313 0.68 KMT2A (0.68) KMT2AMEN1USP2RECQLALDH1A1
SCHEMBL6833676 0.68 MEN1 (1.00) KMT2AMEN1GSTP1GSTM2USP2
SCHEMBL28411867 0.67 KMT2A (0.71) KMT2AMEN1USP2RECQLALDH1A1
SCHEMBL14791257 0.67 KMT2A (0.61) KMT2AMEN1GSTP1GSTM2USP2
SCHEMBL18825636 0.67 KMT2A (0.53) KMT2AMEN1GSTP1GSTM2USP2
SCHEMBL4370339 0.67 KMT2A (0.53) KMT2AMEN1GSTP1GSTM2USP2
SCHEMBL93759 0.66 TXNRD1 (0.54) KMT2AMEN1GSTP1GSTM2USP2

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
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 — — US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 — — WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 KMT2A 2800/4885MEN1 4495/4885GSTP1 2524/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 KMT2A 2800/4885MEN1 4495/4885GSTP1 2524/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 KMT2A 2800/4885MEN1 4495/4885GSTP1 2524/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 KMT2A 2800/4885MEN1 4495/4885GSTP1 2524/4885

“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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