SCHEMBL5095811

SCHEMBL5095811

NCc1cccc(C(=O)NCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.57
▸ LOXL2 Q9Y4K0 4/20 0.55
▸ HTR2C P28335 1/20 0.53
▸ LOX P28300 2/20 0.53
▸ HPGD P15428 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ SPHK2 Q9NRA0 1/20 0.50
▸ SPHK1 Q9NYA1 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
SCHEMBL19634287 0.87 NPC1 (0.55) HPGDPOLBHTTHDAC3HDAC4
SCHEMBL21162674 0.86 CFD (0.56) CFDLOXL2HTR2CHPGDHDAC3
SCHEMBL13073721 0.84 HDAC2 (0.71) CFDHPGDHDAC3HDAC4HDAC1
SCHEMBL14459994 0.84 CFD (0.55) CFDLOXL2HTR2CHPGDHDAC3
SCHEMBL3319225 0.84 SMN1; SMN2 (0.65) LOXHPGDPOLBHTTHDAC3
SCHEMBL12228078 0.84 SMN1; SMN2 (0.57) HPGDPOLBHTTHDAC3HDAC4
SCHEMBL19634293 0.83 LOXL2 (0.65) CFDLOXL2HTR2CLOXHPGD
SCHEMBL8404664 0.83 HDAC3 (0.61) LOXL2LOXHPGDPOLBHTT
SCHEMBL14081049 0.82 LOXL2 (0.61) CFDLOXL2HTR2CMRGPRX4NPC1
SCHEMBL5109753 0.82 LOXL2 (0.54) CFDLOXL2HTR2CMRGPRX4NPC1

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 — — WO disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 — — WO 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 (1 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B CFD 4323/4885LOXL2 4363/4885HTR2C 4012/4885

“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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