SCHEMBL3824110

SCHEMBL3824110

O=C(CCl)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 3/20 0.63
KLF5 Q13887 1/20 0.63
ALDH1A1 P00352 7/20 0.62
HPGD P15428 2/20 0.62
NPC1 O15118 5/20 0.59
USP2 O75604 1/20 0.59
HDAC3 O15379 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
DEGS1 O15121 1/20 0.56
RORC P51449 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 4/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NOD2 Q9HC29 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL7735911 0.84 MITF (0.63) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL517540 0.84 MITF (0.63) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL6688374 0.82 HDAC3 (0.51) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL11356835 0.81 HDAC8 (0.64) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL11215485 0.80 HDAC8 (0.62) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL7738147 0.79 ALDH1A1 (0.81) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL7940080 0.79 MITF (0.58) MITFKLF5ALDH1A1HPGDNPC1
SCHEMBL9081388 0.78 NPC1 (0.76) MITFALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL22291721 0.78 HTR2C (0.58) MITFKLF5HPGDNPC1HDAC8
SCHEMBL22291719 0.78 HTR2C (0.58) MITFKLF5HPGDNPC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US disclosed
EP-0910565-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-04-28 EP disclosed
WO-1998035957-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 MITF 2553/4885KLF5 3978/4885ALDH1A1 99/4885

“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.