SCHEMBL533356

SCHEMBL533356

FC(F)Oc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.55
SCN5A Q14524 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ATM Q13315 3/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CCR6 P51684 1/20 0.40
GFER P55789 1/20 0.40
ADAM17 P78536 1/20 0.40
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
PTGER4 P35408 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL145799 0.86 DRD1 (0.42) DRD1ALDH1A1ATMALOX15MEN1
SCHEMBL13264261 0.86 DRD1 (0.68) DRD1SCN5AALDH1A1ATMALOX15
SCHEMBL534127 0.79 DRD1 (0.59) DRD1MEN1KMT2ALMNARAB9A
SCHEMBL533273 0.78 ALDH1A3 (0.45) ALDH1A1KMT2APKMGAA
SCHEMBL533293 0.78 DRD1 (0.33) DRD1PKMGAA
SCHEMBL11065049 0.78 DRD1 (0.56) DRD1SCN5AALDH1A1ATMALOX15
SCHEMBL7759036 0.77 DRD1 (0.59) DRD1SCN5AALDH1A1ALOX15MEN1
SCHEMBL27785693 0.77 GRM5 (0.41) DRD1SCN5AALDH1A1MEN1KMT2A
SCHEMBL9060628 0.76 DRD1 (0.57) DRD1SCN5AALDH1A1ATMALOX15
SCHEMBL3536741 0.76 DRD1 (0.57) DRD1SCN5AALDH1A1ATMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
CN-109970708-B Cannabinoid receptor modulators 艾尼纳制药公司 2022-06-21 CN disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 DRD1 1575/4885SCN5A 1871/4885ALDH1A1 204/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 DRD1 1851/4885SCN5A 1941/4885ALDH1A1 256/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 DRD1 3015/4885SCN5A 1382/4885ALDH1A1 377/4885

“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.