SCHEMBL7756940

SCHEMBL7756940

CC(C)(C)c1nc2ccccc2n1Cc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.64
TNF P01375 3/20 0.63
NOD2 Q9HC29 2/20 0.63
NOD1 Q9Y239 2/20 0.63
TSHR P16473 1/20 0.59
KDM4E B2RXH2 3/20 0.57
MAPT P10636 4/20 0.54
TP53 P04637 3/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PTGES O14684 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
CASP3 P42574 1/20 0.50
KMT2A Q03164 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7756931 0.82 TNF (0.64) TNFTSHRKDM4EMAPTTP53
SCHEMBL7761087 0.81 GALR3 (0.67) TNFNOD2NOD1TSHRKDM4E
SCHEMBL18535200 0.81 GALR3 (0.72) ALOX5APTNFNOD2NOD1TSHR
SCHEMBL7761652 0.78 TP53 (0.63) ALOX5APTNFTSHRKDM4EMAPT
SCHEMBL8367115 0.78 MEN1 (0.70) ALOX5APTNFNOD2NOD1TSHR
SCHEMBL30195176 0.77 GALR3 (0.68) ALOX5APTNFTSHRTP53SMN1; SMN2
SCHEMBL7762123 0.77 HTT (0.59) KDM4EMAPTTP53HTTSMN1; SMN2
SCHEMBL6170033 0.76 MEN1 (0.68) ALOX5APTNFNOD2NOD1TSHR
SCHEMBL3970501 0.75 CNR2 (0.46) TSHRTP53HTTSMN1; SMN2ALDH1A1
SCHEMBL20715444 0.75 HTT (0.72) ALOX5APTNFNOD2NOD1TSHR

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
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALOX5AP 1153/4885TNF 3557/4885NOD2 2445/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALOX5AP 1169/4885TNF 3697/4885NOD2 2409/4885

“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.