SCHEMBL7243122

SCHEMBL7243122

NCC(=O)Nn1ccc2cc(-c3ccccc3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 5/20 0.47
HTR6 P50406 3/20 0.47
AOC3 Q16853 2/20 0.45
LDHA P00338 2/20 0.43
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
DGAT1 O75907 1/20 0.38
SOAT2 O75908 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2870562 0.81 CA12 (0.44) HTR6KMT2AHDAC8RAB9A
SCHEMBL8836613 0.80 CA1 (0.36) NTSR1KMT2AHDAC8ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8836099 0.80 CA12 (0.43) HTR6KMT2AHDAC8RAB9A
Acetic Acid SCHEMBL8835962 0.79 NOTUM (0.45) NTSR1KMT2AALDH1A1RAB9A
SCHEMBL8836401 0.79 OXER1 (0.44) HDAC8
SCHEMBL8836009 0.78 LTA4H (0.53) KMT2ANPC1ALDH1A1RAB9A
SCHEMBL8835933 0.76 HTR6 (0.44) HTR6AOC3KMT2AALDH1A1
SCHEMBL8836533 0.76 MTNR1A (0.52) HTR6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL8836240 0.76 MTNR1A (0.52) HTR6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL8836539 0.75 TP53 (0.43) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2

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-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 US claimed
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 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-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents AADAC, ERG28, LSS NTSR1 3154/4885HTR6 2937/4885AOC3 393/4885

“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.