SCHEMBL6671902

SCHEMBL6671902

c1ccc2c(c1)Cc1ccc3ncccc3c1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP3A4 P08684 4/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
HIF1A Q16665 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAOA P21397 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 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
SCHEMBL7818325 0.79 KDM4E (0.41) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL18161802 0.79 MAPT (0.38) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL18119662 0.79 MAPT (0.38) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL2395753 0.78 MAPT (0.43) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL2341276 0.77 MAPT (0.48) MAPTKDM4ECYP3A4DRD2DRD4
SCHEMBL4848751 0.76 MAOA (0.50) MAPTKDM4ECYP3A4DRD2DRD4
SCHEMBL18161812 0.75 PDK2 (0.36) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL18119668 0.75 PDK2 (0.36) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL18119656 0.74 CYP3A4 (0.36) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL18161799 0.74 CYP3A4 (0.36) MAPTKDM4ECYP3A4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 EP disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 EP disclosed
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 US disclosed
US-6093821-A MAKING 6-(PHENYL OR HETEROARYL)-1,2-DIHYDRO-N-1-PROTECTED QUINOLINE BY REACTING THE CORRESPONDING 6-HALO-DERIVATIVE WITH AN ORGANOBORATE AND ACID TREATMENT TO FORM THE 6-BORO-DERIVATIVE, COUPLING WITH PHENYL OR HETEROARYL HALIDE LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-25 US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 MAPT 4633/4885KDM4E 3167/4885CYP3A4 399/4885

“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.