SCHEMBL13808306

SCHEMBL13808306

COc1cc(OC)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 4/20 0.45
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 4/20 0.40
NQO2 P16083 2/20 0.39
MAPT P10636 5/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20363911 0.85 NPC1 (0.64) NPC1RAB9AHTTLMNAPOLB
SCHEMBL28547709 0.81 CA1 (0.54) NPC1RAB9AHTTLMNAPOLB
SCHEMBL28543727 0.81 NPC1 (0.46) NPC1RAB9AHTTLMNAPOLB
SCHEMBL1098519 0.81 RAB9A (0.46) NPC1RAB9AHTTLMNAPOLB
SCHEMBL9408768 0.80 NPC1 (0.45) NPC1RAB9AHTTLMNAPOLB
SCHEMBL28897022 0.80 NPC1 (0.47) NPC1RAB9AHTTLMNAPOLB
SCHEMBL31558927 0.80 ALDH1A1 (0.48) NPC1RAB9AHTTLMNAPOLB
SCHEMBL563559 0.78 RAB9A (0.64) NPC1RAB9AHTTLMNAPOLB
SCHEMBL29768260 0.78 RAB9A (0.64) NPC1RAB9AHTTLMNAPOLB
SCHEMBL28547204 0.78 IDH1 (0.44) NPC1RAB9AHTTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090162541-A1 NEAR-INFRARED-ABSORBING MATERIAL FUJIFILM CORPORATION (JP) 2009-06-25 US disclosed
US-20090117266-A1 NEAR-INFRARED-ABSORBING MATERIAL FUJIFILM CORPORATION (JP) 2009-05-07 US disclosed
US-20080169453-A1 Near infrared ray absorbing material and near infrared ray absorbing filter FUJIFILM CORPORATION (JP) 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-20080169453-A1 Near infrared ray absorbing material and near infrared ray absorbing filter RRP12, MRPS22, H1-10 NPC1 783/4885RAB9A 2312/4885HTT 3363/4885

“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.