SCHEMBL3583225

SCHEMBL3583225

O=C(C=Cc1c(O)cccc1Cl)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.65
HPGD P15428 1/20 0.65
CYP1A1 P04798 8/20 0.59
CYP1A2 P05177 8/20 0.59
CYP1B1 Q16678 8/20 0.59
CYP3A4 P08684 5/20 0.59
CYP2D6 P10635 5/20 0.59
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
APP P05067 1/20 0.56
GSK3B P49841 1/20 0.56
HSP90AA1 P07900 1/20 0.51
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.49
TGM2 P21980 1/20 0.48

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
SCHEMBL3583222 1.00 MAPT (0.65) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3588061 0.85 HPGD (0.65) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3588067 0.85 HPGD (0.65) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3600600 0.84 CYP1A1 (0.59) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3600603 0.84 CYP1A1 (0.59) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL21647123 0.83 MAPT (0.58) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL21647124 0.83 MAPT (0.58) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3600036 0.81 CYP1A1 (0.67) MAPTKMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL3600030 0.81 CYP1A1 (0.67) MAPTKMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL196923 0.79 MAPT (1.00) MAPTLMNAALDH1A1KMT2AHPGD

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-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 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 (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 MAPT 2375/4885LMNA 2987/4885ALDH1A1 3584/4885

“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.