Methane

Methane

SCHEMBL1677089

C.COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(N)c3)cc2)cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 2/20 0.37
TBXA2R P21731 1/20 0.37
DHFR P00374 2/20 0.37
ADORA2A P29274 1/20 0.36
EP300 Q09472 3/20 0.36
PLAU P00749 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1481338 0.99 DRD2 (0.46) DRD2MAPTPOLBNPC1RAB9A
SCHEMBL1481341 0.99 DRD2 (0.46) DRD2MAPTPOLBNPC1RAB9A
Methane SCHEMBL1677187 0.93 POLB (0.47) DRD2MAPTPOLBNPC1RAB9A
SCHEMBL1482391 0.92 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1482394 0.92 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676746 0.92 DRD2 (0.47) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676749 0.92 DRD2 (0.47) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1481629 0.90 DRD2 (0.46) DRD2MAPTPOLBNPC1RAB9A
SCHEMBL1481631 0.90 DRD2 (0.46) DRD2MAPTPOLBNPC1RAB9A
SCHEMBL1480801 0.90 DRD2 (0.49) DRD2MAPTPOLBNLRP3TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPT 3251/4885POLB 4497/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPT 3251/4885POLB 4497/4885

“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.