SCHEMBL3589756

SCHEMBL3589756

CCOC(=O)c1ccc(-c2ccccn2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALOX5 P09917 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL22619844 0.82 LMNA (0.50) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL17212180 0.82 HDAC4 (0.46) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL29617026 0.82 HDAC4 (0.64) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL27623948 0.79 ALOX5 (0.50) LMNAKDM4EALOX5
Hexane SCHEMBL8813158 0.78 FAAH (0.49)
SCHEMBL3589894 0.77 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL30047064 0.77 MAPT (0.63) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL409282 0.77 LMNA (0.50) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL14810152 0.77 KDM4E (0.54) LMNAALDH1A1NPC1RAB9AHPGD
SCHEMBL405753 0.77 MAPT (0.63) LMNAALDH1A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
EP-2125778-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 LMNA 2987/4885ALDH1A1 3584/4885TSHR 3127/4885

“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.