SCHEMBL3905239

SCHEMBL3905239

Cc1ccnc(C(=O)c2cc(C)c(C)o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ PTGS2 P35354 6/20 0.39
▸ PTGS1 P23219 4/20 0.39
▸ PKM P14618 1/20 0.38
▸ CTSA P10619 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALPG P10696 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ UHRF1 Q96T88 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL3893032 0.81 KMT2A (0.49) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3906499 0.78 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11517917 0.76 KMT2A (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL3896324 0.73 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5635022 0.72 UHRF1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PTGS2
SCHEMBL3896988 0.72 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3906533 0.72 P2RX7 (0.45) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6004775 0.71 P2RX7 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL28335108 0.70 KMT2A (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL397492 0.70 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1PKM

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-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
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 NPC1 1915/4885RAB9A 3164/4885SMN1; SMN2 3891/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 NPC1 2266/4885RAB9A 2762/4885SMN1; SMN2 3772/4885

“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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