SCHEMBL6771133

SCHEMBL6771133

O=C(NCc1cccs1)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.45
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL5863883 0.82 SMN1; SMN2 (0.42)
SCHEMBL7596873 0.81 HPGD (0.44) HPGDLMNAUSP2POLBALDH1A1
SCHEMBL6771422 0.80 HTT (0.44) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL6770164 0.79 SMN1; SMN2 (0.48) HPGDLMNAPOLBALDH1A1GAA
SCHEMBL5863393 0.79 MTTP (0.47)
SCHEMBL6766560 0.79 POLB (0.45) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL6766343 0.77 MTTP (0.48)
SCHEMBL6770262 0.76 NPC1 (0.48) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL6777758 0.76 P2RX7 (0.46)
SCHEMBL5863509 0.76 MTTP (0.41) HPGDLMNAALDH1A1

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-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A HPGD 1438/4885LMNA 950/4885USP2 3659/4885

“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.