SCHEMBL4119067

SCHEMBL4119067

Cc1noc2c(O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 5/20 0.37
EGFR P00533 1/20 0.37
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TRPA1 O75762 2/20 0.35
CYP1A2 P05177 2/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8404486 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2ALOX15HSD17B10KDM4E
SCHEMBL5512114 0.79 MAOA (0.39) SMN1; SMN2MAOAEGFRATP1A1ATP1B1
SCHEMBL25045603 0.76 SMN1; SMN2 (0.36) EDNRASMN1; SMN2CYP1A2ALOX15HSD17B10
SCHEMBL20870710 0.76 BRD4 (0.37) EDNRASMN1; SMN2CYP1A2ALOX15HSD17B10
SCHEMBL13576849 0.76 GRM4 (0.42) EDNRASMN1; SMN2ESR1CYP1A2ALOX15
SCHEMBL20870713 0.76 LMNA (0.47) EDNRACYP1A2MAPTTSHR
SCHEMBL6993519 0.73 ALDH1A1 (0.49) EDNRASMN1; SMN2MAOACYP1A2MAPT
SCHEMBL25833191 0.73 LMNA (0.39) SMN1; SMN2CYP1A2HPGDTSHRKCNA3
SCHEMBL13305127 0.73 CA2 (0.38) EDNRASMN1; SMN2TSHRTDP1KCNA3
SCHEMBL13202522 0.72 EPHX2 (0.52) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 EDNRA 1138/4885SMN1; SMN2 3331/4885MAOA 1717/4885

“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.