SCHEMBL5519971

SCHEMBL5519971

CNc1ccc(N2CCCC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 1/20 0.51
HTR6 P50406 4/20 0.45
S100B P04271 2/20 0.43
PRMT6 Q96LA8 1/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TERT O14746 2/20 0.41
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28717217 0.86 MAPT (0.55) MAPTKMT2AALDH1A1HTR6MEN1
Hydrochloric Acid SCHEMBL27660780 0.83 MAPT (0.51) MAPTKMT2AALDH1A1CYP1A2MEN1
SCHEMBL25042438 0.80 HTR6 (0.42) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25039682 0.79 MAPT (0.55) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL21485052 0.77 S100B (0.59) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2933216 0.77 LMNA (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL14826478 0.76 MAPT (0.58) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL13105505 0.76 MAPT (0.46) MAPTKMT2AALDH1A1HTTKDM4E
SCHEMBL19998610 0.76 HPGD (0.47) MAPTKMT2AALDH1A1HPGDS100B
SCHEMBL24140816 0.75 S100B (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS MAPT 4397/4885KMT2A 2389/4885ALDH1A1 272/4885

“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.