SCHEMBL2786142

SCHEMBL2786142

O=C(c1ccc(O)c(I)c1)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TTR P02766 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ GFER P55789 1/20 0.50

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
SCHEMBL6724575 0.83 MAPT (0.56) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL10759830 0.78 CES2 (0.62) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL28129734 0.78 EYA3 (0.53) MAPTKDM4ELMNACYP3A4CYP2C9
SCHEMBL9487939 0.78 HSD17B14 (0.57) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL1602430 0.78 ATM (0.57) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL15197122 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL10428376 0.77 MAPT (0.61) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL7367690 0.77 SLC22A6 (0.66) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL9240475 0.77 TDP1 (0.56) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL2705078 0.76 KDM4E (0.46) ALDH1A1HSD17B10MAPTKDM4EMEN1

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
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 — — EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 — — US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 — — US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 — — US disclosed
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-12-05 — — US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 — — 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 ALDH1A1 1131/4885HSD17B10 3582/4885MAPT 3001/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALDH1A1 664/4885HSD17B10 3166/4885MAPT 3342/4885
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALDH1A1 664/4885HSD17B10 3166/4885MAPT 3342/4885

“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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