SCHEMBL6036619

SCHEMBL6036619

O=C(O)Cc1c(N(Cl)c2ccccc2)cccc1N(Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.48
ALDH1A1 P00352 6/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.38
GLA P06280 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
PTGS1 P23219 2/20 0.36
ABCC4 O15439 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3364459 0.74 PTPN1 (0.45) ALDH1A1HTTNPC1RAB9AKMT2A
SCHEMBL4249097 0.72 ALDH1A1 (0.50) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL4191886 0.68 ALDH1A1 (0.44) ALDH1A1HTTNPSR1NPC1RAB9A
Phenylacetic Acid SCHEMBL27589745 0.68 AKR1B1 (0.68) AKR1B1ALDH1A1HTTNPC1RAB9A
SCHEMBL10718783 0.68 TDP1 (0.38) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL11509894 0.66 TSHR (0.41) ALDH1A1NPSR1POLBKMT2ATDP1
SCHEMBL109215 0.66 AKR1B1 (1.00) AKR1B1KMT2AGAAKDM4EHSD17B10
SCHEMBL8061910 0.66 ALDH1A1 (0.44) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL28209161 0.66 SIGMAR1 (0.49) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL11193324 0.66 MAPT (0.53) ALDH1A1HTTNPSR1RAB9AKMT2A

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
US-7115662-B2 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS AG (CH) 2006-10-03 US disclosed
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2004-06-24 US disclosed
US-6727281-B2 SELECTIVE CYCLOOXYGENASE-2(COX-2) INHIBITORS NOVARTIS AG (CH) 2004-04-27 US disclosed
EP-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 EP disclosed
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2002-12-05 US disclosed
US-6451858-B2 FOR THERAPY OF INFLAMMATION, PYRESIS, PAIN, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, MIGRAINE HEADACHE, CANCER, MELANOMA, MULTIPLE SCLEROSIS, ALZHEIMER'S DISEASE, OSTEOPOROSIS, ASTHMA, LUPUS AND PSORIASIS; SIDE EFFECT REDUCTION NOVARTIS AG (CH) 2002-09-17 US disclosed
US-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2002-01-31 US disclosed
US-6310099-B1 5-METHYL OR ETHYL-2-(2-'CHLORO OR FLUORO OR TRIFLUROMETHYL-6'FLUORO OR CHLOROANILINO) PHENYLACETIC ACID OR SALT IS USED AS COX-2 SELECTIVE CYCLOOXYGENASE INHIBITOR NOVARTIS AG (CH) 2001-10-30 US disclosed
US-6291523-B1 SELECTIVE COX-2 CYCLOOXYGENASE INHIBITORS NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-1007505-A1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES Novartis AG (CH) 2000-06-14 EP disclosed
WO-1999011605-A1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 1999-03-11 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 (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-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives HCAR2, CYP2F1, CYP2E1 AKR1B1 176/4885ALDH1A1 60/4885HTT 2379/4885
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 AKR1B1 219/4885ALDH1A1 68/4885HTT 2424/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 AKR1B1 219/4885ALDH1A1 68/4885HTT 2424/4885

“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.