SCHEMBL3899573

SCHEMBL3899573

Clc1ccnc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.56
CYP3A4 P08684 2/20 0.55
MAOA P21397 2/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 1/20 0.49
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
PRMT5 O14744 1/20 0.47
GRM4 Q14833 1/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
DYRK1A Q13627 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL29878333 0.88 CYP3A4 (0.58) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL3898712 0.88 CYP3A4 (0.58) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL26355932 0.82 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL30530239 0.82 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL1486580 0.82 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL30440566 0.81 GRM4 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL4744679 0.80 ERBB2 (0.49) NPC1RAB9AEGFRERBB2HPGD
SCHEMBL3646897 0.80 MAPT (0.55) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL3399608 0.80 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1
SCHEMBL855876 0.79 IP6K1 (0.56) IP6K1CYP3A4MAOAMAOBNPC1

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-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 IP6K1 3325/4885CYP3A4 2226/4885MAOA 1672/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 IP6K1 3592/4885CYP3A4 1842/4885MAOA 1536/4885

“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.