SCHEMBL906085

SCHEMBL906085

C[CH]C(N)c1n[nH]c2ccc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
TTK P33981 1/20 0.43
HTR2B P41595 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
FADS1 O60427 1/20 0.41
HTR1A P08908 1/20 0.41
ITK Q08881 1/20 0.40
LRRK2 Q5S007 3/20 0.40
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9122593 0.84 KDM4E (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14158277 0.80 KDM4E (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL905992 0.79 PDPK1 (0.54) MEN1MAPTKMT2AHTR2BHTR2A
SCHEMBL905773 0.79 FADS1 (0.40) HTR2AFADS1HPGDCYP1A2
SCHEMBL5989962 0.75 KDM4E (0.48) ALDH1A1KDM4ETTKITKLRRK2
SCHEMBL2436313 0.75 KDM4E (0.55) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8146168 0.74 PRKAG1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1043754 0.72 DYRK1A (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL906084 0.71 HTR2A (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL905833 0.70 HSD17B10 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A

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-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C ALDH1A1 527/4885KDM4E 2684/4885MEN1 4045/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C ALDH1A1 527/4885KDM4E 2684/4885MEN1 4045/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C ALDH1A1 527/4885KDM4E 2684/4885MEN1 4045/4885

“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.