SCHEMBL14026787

SCHEMBL14026787

CCCCOc1ccc(I)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL12954602 0.83 SLC6A2 (0.48) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL14607917 0.81 MAPT (0.58) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL18255267 0.80 CYP1A2 (0.42) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL3374326 0.80 CYP1A2 (0.42) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL17485632 0.79 L3MBTL1 (0.46) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL7042556 0.79 NR5A1 (0.49) NPSR1ALDH1A1MAPTTHRBGAA
SCHEMBL8300246 0.77 ESR1 (0.51) SMN1; SMN2LMNANPSR1ALDH1A1MAPT
SCHEMBL18304711 0.77 HTR2A (0.40) LMNACYP1A2
SCHEMBL18030223 0.77 CYP1A2 (0.39) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL31351913 0.76 MAPT (0.44) SMN1; SMN2HTTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 — — US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 — — US disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 — — 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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 SMN1; SMN2 2957/4885HTT 971/4885MEN1 2097/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC SMN1; SMN2 3609/4885HTT 1796/4885MEN1 2081/4885

“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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