SCHEMBL12597895

SCHEMBL12597895

Cn1c(C(=O)NCCc2c[nH]cn2)cc(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CBLB Q13191 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ TSHR P16473 1/20 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
Hydrochloric Acid SCHEMBL1518142 0.99 MAPT (0.35) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL12597863 0.81 CBLB (0.39) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL16382669 0.81 CBLB (0.38) NPC1RAB9ACBLBALDH1A1HRH3
Hydrochloric Acid SCHEMBL1518082 0.80 CBLB (0.39) MAPTNPC1RAB9AALOX15TDP1
Hydrochloric Acid SCHEMBL1518204 0.80 CBLB (0.37) MAPTNPC1RAB9ACBLBALDH1A1
Dihydrosventrin SCHEMBL12559819 0.74 CBLB (0.38) MAPTNPC1RAB9AALOX15TDP1
Hydrochloric Acid SCHEMBL1518433 0.74 MAP2K1 (0.44) ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1518380 0.74 NPC1 (0.59) NPC1RAB9AHRH3SMN1; SMN2HPGD
Dihydrosventrin SCHEMBL1518647 0.74 CBLB (0.38) MAPTNPC1RAB9AALOX15TDP1
SCHEMBL12597864 0.74 CBLB (0.38) MAPTNPC1RAB9AALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084423-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-07-21 — — US disclosed
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2014-05-08 — — US disclosed
US-8653124-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2014-02-18 — — US disclosed
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-06-23 — — US disclosed
US-7906544-B2 Dentifrices; stents; catheters; grafts NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-15 — — US disclosed
US-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2008-07-31 — — 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 (3 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-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB MAPT 3627/4885NPC1 4428/4885RAB9A 1387/4885
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB MAPT 3627/4885NPC1 4428/4885RAB9A 1387/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB MAPT 3627/4885NPC1 4428/4885RAB9A 1387/4885

“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.

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