SCHEMBL2469342

SCHEMBL2469342

COc1ccccc1CNc1ccc(N(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.59
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 5/20 0.58
MAPK1 P28482 4/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2D6 P10635 4/20 0.58
CYP2C19 P33261 4/20 0.58
TP53 P04637 3/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
USP2 O75604 2/20 0.58
KDM4E B2RXH2 6/20 0.57
TDP1 Q9NUW8 4/20 0.57
HPGD P15428 4/20 0.57
TSHR P16473 3/20 0.57
CYP2C9 P11712 3/20 0.57
MAPT P10636 6/20 0.57
GAA P10253 5/20 0.57

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
SCHEMBL30287924 0.83 HIF1A (0.74) HIF1AALDH1A1MAPK1MEN1KMT2A
SCHEMBL10388545 0.83 HIF1A (0.74) HIF1AALDH1A1MAPK1MEN1KMT2A
SCHEMBL28906915 0.82 HIF1A (0.64) HIF1AALDH1A1MAPK1TP53LMNA
SCHEMBL2979268 0.81 HIF1A (0.62) HIF1AALDH1A1HSD17B10MAPK1LMNA
Hydrochloric Acid SCHEMBL2987335 0.79 HIF1A (0.61) HIF1AALDH1A1MAPK1LMNAMEN1
SCHEMBL8782838 0.78 MAOA (0.53) ALDH1A1MAPK1CYP3A4TP53MEN1
SCHEMBL2463521 0.78 MAPT (0.68) HIF1AALDH1A1CYP2D6LMNAMEN1
SCHEMBL1645842 0.78 HIF1A (0.58) HIF1AALDH1A1HSD17B10MAPK1CYP1A2
SCHEMBL11535127 0.76 MAOA (0.51) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL4820844 0.76 HIF1A (0.72) HIF1AALDH1A1HSD17B10MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
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 HIF1A 1951/4885ALDH1A1 2506/4885HSD17B10 3791/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 HIF1A 1951/4885ALDH1A1 2506/4885HSD17B10 3791/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 HIF1A 1951/4885ALDH1A1 2506/4885HSD17B10 3791/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 HIF1A 1951/4885ALDH1A1 2506/4885HSD17B10 3791/4885

“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.