SCHEMBL9610127

SCHEMBL9610127

CC(C)(C#Cc1ccc(N)c(Cl)c1)OCCOc1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAP3K14 Q99558 1/20 0.31
▸ PIKFYVE Q9Y2I7 1/20 0.31
▸ ICMT O60725 1/20 0.30

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
SCHEMBL9610093 0.80 CYP3A4 (0.33) CYP3A4
SCHEMBL9612037 0.78 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4CYP2D6
SCHEMBL13878792 0.78 NPC1 (0.35) —
SCHEMBL9610122 0.70 CYP2D6 (0.41) SMN1; SMN2CYP3A4CYP2D6
SCHEMBL9610113 0.69 CYP3A4 (0.41) CYP3A4MAP3K14
SCHEMBL14282689 0.68 TTBK1 (0.41) SMN1; SMN2CYP3A4MAP3K14PIKFYVE
SCHEMBL9610078 0.67 CYP3A4 (0.37) CYP3A4CYP2D6
SCHEMBL14355617 0.64 MAP3K14 (0.33) CYP2D6MAP3K14
SCHEMBL9610079 0.64 GAA (0.38) CYP3A4CYP2D6
SCHEMBL9912502 0.63 CYP2D6 (0.47) SMN1; SMN2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 — — US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 — — US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 — — US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 — — 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT SMN1; SMN2 1281/4885CYP3A4 2395/4885CYP2D6 1719/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E SMN1; SMN2 1896/4885CYP3A4 673/4885CYP2D6 680/4885

“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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