SCHEMBL2491233

SCHEMBL2491233

NC1c2ccccc2N(CCc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTR2A P28223 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ MPO P05164 1/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ CYP2A13 Q16696 1/20 0.51

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
SCHEMBL23615790 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29188240 0.75 HTR2A (0.64) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL21837116 0.72 MAPT (0.73) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL4985934 0.72 HTR2A (0.77) MAPTMEN1KMT2AHTR2ACYP3A4
SCHEMBL735125 0.71 MAPT (1.00) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL733677 0.71 RAB9A (0.69) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7954617 0.71 HTR2A (0.72) HTR2ACYP3A4CYP1A2CYP2D6HTR2C
SCHEMBL17525706 0.71 RAB9A (0.56) MAPTMEN1KMT2ARAB9ANPC1
Water SCHEMBL11547148 0.70 HTR2A (0.70) HTR2ACYP3A4CYP1A2CYP2D6HTR2C
SCHEMBL6465788 0.70 HTR2A (0.88) RAB9AHTR2ACYP2D6HTR6HTR1A

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 MAPT 3443/4885MEN1 4495/4885KMT2A 2800/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885MEN1 4495/4885KMT2A 2800/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885MEN1 4495/4885KMT2A 2800/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885MEN1 4495/4885KMT2A 2800/4885

“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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