SCHEMBL2491262

SCHEMBL2491262

Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
PANK1 Q8TE04 2/20 0.55
PANK3 Q9H999 1/20 0.55
GAA P10253 2/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4210306 0.61 HPGD (0.48) MAPTGAATHRBKDM4ESMN1; SMN2
SCHEMBL9202 0.60 EPHX1 (0.53) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29334903 0.59 EPHX1 (0.52) KDM4ESMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL29337528 0.59 EPHX1 (0.52) KDM4ESMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8290227 0.59 GLA (0.57) SMN1; SMN2MEN1KMT2A
SCHEMBL15224298 0.59 EPHX1 (0.52) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4794618 0.58 SMN1; SMN2 (0.64) KDM4ENPSR1TSHRSMN1; SMN2MEN1
SCHEMBL2858138 0.58 KDM4E (0.55) KDM4EKMT2A
SCHEMBL13519 0.58 FAAH (0.57) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15224107 0.58 CYP2D6 (0.58) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 3443/4885PANK1 2439/4885PANK3 2607/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885PANK1 2439/4885PANK3 2607/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885PANK1 2439/4885PANK3 2607/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885PANK1 2439/4885PANK3 2607/4885

“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.