SCHEMBL4990333

SCHEMBL4990333

COc1ccc(-c2c(OC)cccc2C(=O)Nc2ccc3cc(C(=O)O)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 8/20 0.51
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ DDX3X O00571 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4985584 0.92 RXFP1 (0.48) MTTPNPC1RAB9AMEN1KMT2A
SCHEMBL4986089 0.90 MTTP (0.53) MTTPNPC1RAB9ARXFP1CASP3
SCHEMBL4991624 0.88 MTTP (0.50) MTTPNPC1RAB9AMEN1KMT2A
SCHEMBL4987813 0.85 MTTP (0.62) MTTPADORA3POLB
SCHEMBL5665951 0.85 MTTP (0.45) MTTPRAB9AMEN1KMT2APOLB
SCHEMBL4990346 0.81 MTTP (0.47) MTTPNPC1RAB9ARXFP1CASP3
SCHEMBL4984065 0.80 NPC1 (0.50) MTTPNPC1RAB9ATDP1KDM4E
SCHEMBL4984087 0.79 MTTP (0.50) MTTPNPC1RAB9ARXFP1
SCHEMBL4982046 0.77 MTTP (0.56) MTTPNPC1RAB9AMEN1KMT2A
SCHEMBL4984140 0.77 MTTP (0.49) MTTPNPC1RAB9A

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN MTTP 9/4885NPC1 32/4885RAB9A 1687/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MTTP 7/4885NPC1 32/4885RAB9A 2095/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MTTP 7/4885NPC1 32/4885RAB9A 2095/4885

“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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