SCHEMBL3962631

SCHEMBL3962631

CNc1ccc(C(=O)Nc2cc(CN[C@H](C)c3ccccc3)ccc2Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
NOX1 Q9Y5S8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
P4HTM Q9NXG6 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
F10 P00742 2/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HCAR3 P49019 1/20 0.39
KLKB1 P03952 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4543823 1.00 HDAC1 (0.47) HDAC1NOX1SMN1; SMN2HPGDALDH1A1
SCHEMBL4999927 0.91 HDAC1 (0.45) HDAC1NOX1SMN1; SMN2HPGDALDH1A1
SCHEMBL3960551 0.91 HDAC1 (0.49) HDAC1NOX1SMN1; SMN2HPGDALDH1A1
SCHEMBL4541195 0.91 HDAC1 (0.45) HDAC1NOX1SMN1; SMN2HPGDALDH1A1
SCHEMBL3960528 0.89 MDM4 (0.50) HDAC1SMN1; SMN2HPGDALDH1A1P4HTM
SCHEMBL4999677 0.89 MDM4 (0.50) HDAC1SMN1; SMN2HPGDALDH1A1P4HTM
SCHEMBL4543923 0.88 HDAC1 (0.50) HDAC1NOX1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4996420 0.88 HDAC1 (0.50) HDAC1NOX1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3959584 0.87 HDAC1 (0.42) HDAC1NOX1SMN1; SMN2HPGDALDH1A1
SCHEMBL4543752 0.87 HDAC1 (0.42) HDAC1NOX1SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US claimed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US claimed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
US-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 US disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 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-20080221101-A1 Calcium receptor modulating agents CASR, RYR1, RYR2 HDAC1 3142/4885NOX1 2274/4885SMN1; SMN2 2433/4885

“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.