SCHEMBL5116724

SCHEMBL5116724

Fc1ccc(NNc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
CTSD P07339 1/20 0.67
NOX1 Q9Y5S8 1/20 0.54
GAA P10253 3/20 0.52
ALOX12 P18054 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL28653295 0.88 ALDH1A1 (0.46) ALDH1A1TDP1CTSDGAAALOX12
SCHEMBL904596 0.83 ALDH1A1 (0.72) ALDH1A1TDP1NOX1ALOX12CYP1A2
SCHEMBL19737269 0.82 ALDH1A1 (1.00) ALDH1A1TDP1CTSDGAAALOX12
Hydrazobenzene SCHEMBL51179 0.82 ALDH1A1 (1.00) ALDH1A1TDP1CTSDGAAALOX12
SCHEMBL6101646 0.79 NPC1 (0.55) ALDH1A1TDP1CTSDGAAALOX12
SCHEMBL5113271 0.77 MEN1 (0.59) ALDH1A1TDP1CTSDGAAMAPT
SCHEMBL21563477 0.77 ALDH1A1 (0.62) ALDH1A1TDP1NOX1ALOX12CYP1A2
SCHEMBL22620524 0.77 ALDH1A1 (0.81) ALDH1A1TDP1CTSDGAAALOX12
SCHEMBL14819026 0.77 ALDH1A1 (0.81) ALDH1A1TDP1CTSDGAAALOX12
SCHEMBL3989832 0.76 KMT2A (0.46) GAAALOX12CYP1A2MAPTCYP2C9

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
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
CN-118930453-A Method for synthesizing hydroazobenzene compound by reducing azobenzene with triethylamine under catalysis of visible light 云南民族大学 2024-11-12 CN disclosed
CN-115368268-A Method for efficiently preparing azo compound and application thereof 大连理工大学 2022-11-22 CN disclosed
CN-113773234-A Method for oxidizing hydrazine compound into azo compound 台州学院 2021-12-10 CN disclosed
EP-2880030-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2015-06-10 EP disclosed
WO-2014019344-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-02-06 WO 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP ALDH1A1 1142/4885TDP1 1584/4885CTSD 2802/4885

“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.