SCHEMBL3944864

SCHEMBL3944864

O=[N+]([O-])c1ccc(O)c(OCCN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.60
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.47
KCNJ1 P48048 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL29277214 0.85 TSHR (0.67) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL15741625 0.85 POLB (0.55) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL3214392 0.85 NPC1 (0.55) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL2086647 0.84 KMT2A (0.61) CYP1A2CYP2D6CYP2C19KMT2ASMN1; SMN2
SCHEMBL3940129 0.84 KMT2A (0.61) CYP1A2CYP2D6CYP2C19KMT2ASMN1; SMN2
SCHEMBL2717838 0.83 CYP1A2 (0.52) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL3861118 0.83 POLB (0.55) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5141431 0.80 CYP1A2 (0.49) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL7966740 0.80 CYP1A2 (0.58) CTSBCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL17652893 0.80 ALDH1A1 (0.50) CTSBCYP1A2CYP2D6CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CTSB 3843/4885CYP1A2 1186/4885CYP2D6 179/4885

“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.