SCHEMBL10901434

SCHEMBL10901434

Cc1cc(O)c2ccccc2[n+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
HTT P42858 3/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
S1PR4 O95977 1/20 0.56
S1PR1 P21453 1/20 0.56
BRD4 O60885 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 4/20 0.46
CASP6 P55212 1/20 0.46
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43
LMNA P02545 4/20 0.42
EP300 Q09472 1/20 0.41
APAF1 O14727 1/20 0.40
ATM Q13315 1/20 0.38

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
SCHEMBL3391710 0.80 MAPT (0.59) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL5066695 0.78 MEN1 (0.47) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL10900423 0.78 ALDH1A1 (0.38) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL6093473 0.77 MAPT (0.56) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL10999954 0.74 MAPT (0.53) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL7761625 0.74 MAPT (0.53) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL10900722 0.74 MAPT (0.45) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL10706550 0.74 MEN1 (0.40) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL11001735 0.72 CFTR (0.39) MAPTNPSR1HTTKDM4ENPC1
SCHEMBL10900266 0.72 ALDH1A1 (0.43) MAPTNPSR1HTTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616016-A MIXTURE OF QUINALDINES, QUINOLINES, CYCLOHEXENE AMINOREDUCTONES BASF AKTIENGESELLSCHAFT (DE) 1986-10-07 US claimed
EP-0124752-B1 MIXTURES OF SUBSTANCES WITH GROWTH AND OUTPUT ACCELERATING EFFECT AS WELL AS FEED AND WATERING LIQUIDS WHICH CONTAIN LOW AMOUNTS OF THESE MIXTURES BASF Aktiengesellschaft (DE) 1986-07-16 EP claimed
US-4510146-A SUBSTITUTED QUINOLINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1985-04-09 US claimed
EP-0065192-B1 GROWTH-PROMOTING FODDER OR DRINKING LIQUID BASF Aktiengesellschaft (DE) 1984-02-01 EP claimed
US-20100184804-A1 METHODS FOR THE PREVENTION OR TREATMENT OF BACTERIAL AND FUNGAL INFECTIONS THE GENERAL HOSPITAL CORPORATION 2010-07-22 US disclosed
US-4616016-A MIXTURE OF QUINALDINES, QUINOLINES, CYCLOHEXENE AMINOREDUCTONES BASF AKTIENGESELLSCHAFT (DE) 1986-10-07 US disclosed
US-4510146-A SUBSTITUTED QUINOLINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1985-04-09 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-20100184804-A1 METHODS FOR THE PREVENTION OR TREATMENT OF BACTERIAL AND FUNGAL INFECTIONS VAC14, ST14, RPL14 MAPT 3915/4885NPSR1 4302/4885HTT 3972/4885

“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.