SCHEMBL5750123

SCHEMBL5750123

CCOP(=O)(CN1CCN(Cc2ccc(C(=O)O)cc2)CC1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC4 P56524 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
THRB P10828 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 3/20 0.45
PKM P14618 1/20 0.45
LTA4H P09960 3/20 0.44
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42

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
SCHEMBL5885150 0.89 SMN1; SMN2 (0.42) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL7421122 0.85 SIGMAR1 (0.55) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL5672916 0.82 HDAC1 (0.52) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL5885167 0.80 LMNA (0.39) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL5885158 0.80 LMNA (0.41) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL22014090 0.80 HDAC1 (0.50) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL10074441 0.80 HDAC1 (0.62) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL3013154 0.78 ALDH1A1 (0.61) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL5885170 0.78 LMNA (0.38) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28833528 0.77 ALDH1A1 (0.59) HDAC1HDAC4KCNH2SMN1; SMN2LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132427-B2 Quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-7019139-B2 Quinolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1408985-A4 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMA INC (US) 2006-03-22 EP disclosed
US-7009054-B2 Quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-07 US disclosed
US-6960572-B2 Indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1408978-A4 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMA INC (US) 2005-07-13 EP disclosed
US-6878697-B2 Phenylamino-pyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
US-20040167101-A1 Novel quinolinones and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
US-20040152671-A1 Novel quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-08-05 US disclosed
US-6706699-B2 FOR THERAPY OF CANCER, OSTEOPOROSIS AND OTHER DISEASES INVOLVING UNTOWARD BONE RESORPTION E.G., PAGET'S DISEASE, PRIMARY AND SECONDARY HYPERPARATHYROIDISM, HUMORAL HYPERCALCEMIA OF MALIGNANCY ARIAD PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20030130234-A1 Novel indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-20030114486-A1 Novel quinolinones and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-19 US disclosed
US-20030114467-A1 Novel pyrazolo- and pyrrolo-pyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-06-19 US disclosed
US-20030105115-A1 Novel pyridopyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-06-05 US disclosed
US-20030105065-A1 Novel quinolines and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-05 US disclosed
US-20030100572-A1 Novel pyridopyrimidones and uses thereof ARIAD PHARMACEUTICALS,INC. 2003-05-29 US disclosed
US-20030100573-A1 Novel quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003000186-A2 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000270-A1 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 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 (10 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-20030105065-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 HDAC1 2478/4885HDAC4 3380/4885KCNH2 352/4885
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF DPYD, TYMP, DDX41 HDAC1 3806/4885HDAC4 4261/4885KCNH2 2345/4885
US-20030100572-A1 Novel pyridopyrimidones and uses thereof UQCRB, RRM2B, CYP2B6 HDAC1 3565/4885HDAC4 4193/4885KCNH2 313/4885
US-20030105115-A1 Novel pyridopyrimidines and uses thereof DPYD, RRM2B, RRM2 HDAC1 3844/4885HDAC4 4146/4885KCNH2 294/4885
US-20030100573-A1 Novel quinazolines and uses thereof UQCRB, NQO2, RAB7A HDAC1 2259/4885HDAC4 3360/4885KCNH2 676/4885
US-20030114467-A1 Novel pyrazolo- and pyrrolo-pyrimidines and uses thereof TYMP, TYMS, DPYD HDAC1 3686/4885HDAC4 4610/4885KCNH2 2130/4885
US-20030114486-A1 Novel quinolinones and uses thereof UGT2B7, RAB7A, UQCRB HDAC1 3041/4885HDAC4 3334/4885KCNH2 534/4885
US-20040152671-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 HDAC1 2478/4885HDAC4 3380/4885KCNH2 352/4885
US-20030130234-A1 Novel indolinones and uses thereof RDX, UQCRB, DRD1 HDAC1 3131/4885HDAC4 3395/4885KCNH2 596/4885
US-20040167101-A1 Novel quinolinones and uses thereof UGT2B7, RAB7A, UQCRB HDAC1 3041/4885HDAC4 3334/4885KCNH2 534/4885

“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.