SCHEMBL18157978

SCHEMBL18157978

Cc1cccc(CC(c2cccc(C)n2)C(N)c2cccc(C)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CXCR4 P61073 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
PDE8B O95263 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
MPO P05164 1/20 0.33
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAOA P21397 2/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL18158007 0.79 CPB2 (0.38) NOS2NOS3NOS1
SCHEMBL18157975 0.77
SCHEMBL7027270 0.77 NOS2 (0.45) SMN1; SMN2CXCR4NOS2NOS3NOS1
SCHEMBL20897039 0.75 TAAR1 (0.47) CXCR4NOS2NOS3CCR1CCR8
SCHEMBL18157921 0.75 NCF1 (0.30)
SCHEMBL18158044 0.74 ADRB1 (0.42) MBOAT4P2RX7MAOBSLC6A4ADORA2A
SCHEMBL20032025 0.73 NOS3 (0.41) SMN1; SMN2CXCR4NOS2NOS3CCR1
SCHEMBL2614966 0.71 KDM4E (0.46) SMN1; SMN2CXCR4NOS2NOS3NOS1
SCHEMBL29337168 0.70 NOS3 (0.42) HTTRECQLNOS2NOS3CCR1
SCHEMBL8307713 0.70 GRIN2D (0.57) SMN1; SMN2NOS2NOS3NOS1KMT2A

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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 SMN1; SMN2 2133/4885CXCR4 3217/4885HTT 2845/4885

“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.