SCHEMBL30828601

SCHEMBL30828601

CN1CCC(Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NC5CCN(C)CC5)cc4)cc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
KDM1A O60341 2/20 0.57
MAOA P21397 2/20 0.57
KDM1B Q8NB78 2/20 0.57
RCOR1 Q9UKL0 2/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
FLT3 P36888 12/20 0.54
NTRK3 Q16288 6/20 0.54
NTRK2 Q16620 6/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
NTRK1 P04629 5/20 0.53
ABL1 P00519 2/20 0.53
LCK P06239 2/20 0.53
CSF1R P07333 2/20 0.53
KIT P10721 2/20 0.53
BTK Q06187 2/20 0.53
CHEK1 O14757 1/20 0.52
PIM1 P11309 1/20 0.52

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
SCHEMBL14980367 0.84 POLB (0.61) POLBFLT3NTRK3NTRK2NTRK1
SCHEMBL8251202 0.84 POLB (0.61) POLBNPC1RAB9AFLT3NTRK3
SCHEMBL18361298 0.83 HDAC1 (0.71) FLT3NTRK3NTRK2NTRK1
SCHEMBL6154880 0.83 POLB (0.59) POLBKDM1AMAOAKDM1BRCOR1
Hydrochloric Acid SCHEMBL20592116 0.82 HDAC1 (0.69) FLT3NTRK3NTRK2NTRK1
SCHEMBL23448724 0.82 LMNA (0.58) POLBNPC1FLT3NTRK3NTRK2
SCHEMBL12020887 0.82 HTR1F (0.69) CSF1R
SCHEMBL24336470 0.81 FLT3 (0.65) FLT3NTRK3NTRK2NTRK1ABL1
SCHEMBL12670070 0.81 POLB (0.56) POLBNPC1RAB9AFLT3NTRK3
SCHEMBL12828121 0.81 POLB (0.56) POLBFLT3NTRK3NTRK2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 POLB 1009/4885KDM1A 439/4885MAOA 3409/4885

“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.