SCHEMBL6102691

SCHEMBL6102691

COc1ccc2c(c1O)CCN(C(=S)NCCc1ccc(Br)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPT P10636 6/20 0.45
▸ POLB P06746 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GMNN O75496 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL5708841 0.90 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708871 0.90 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708802 0.90 NPC1 (0.61) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6100830 0.88 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6102970 0.86 NPC1 (0.53) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708725 0.85 MAPT (0.49) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708842 0.82 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708803 0.78 NPC1 (0.53) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708786 0.78 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5708874 0.76 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1

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-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 — — US disclosed
US-20050165004-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2005-07-28 — — 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 (2 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-20050165004-A1 Bronchorelaxing compounds GPR6, CHRM3, NR1H3 MEN1 1409/4885KMT2A 3030/4885SMN1; SMN2 2872/4885
US-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 MEN1 2210/4885KMT2A 3875/4885SMN1; SMN2 2618/4885

“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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