SCHEMBL1775576

SCHEMBL1775576

c1ccc2[nH]c(NCCCCCN3CCCCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
BACE1 P56817 1/20 0.61
BCHE P06276 2/20 0.59
TRPC3 Q13507 1/20 0.59
TRPC4 Q9UBN4 1/20 0.59
TRPC5 Q9UL62 1/20 0.59
HRH3 Q9Y5N1 7/20 0.55
HTT P42858 1/20 0.52
LTA4H P09960 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACHE P22303 1/20 0.49
ACP1 P24666 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2446553 0.91 BACE1 (0.69) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL2445746 0.89 BACE1 (0.73) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL8567589 0.89 TSHR (0.78) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL17749563 0.84 TSHR (0.86) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL2448672 0.84 BACE1 (0.66) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL12332532 0.84 BACE1 (0.69) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL2444228 0.79 BACE1 (0.72) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL7586522 0.78 BCHE (0.88) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL27915816 0.78 BCHE (0.88) TSHRBACE1BCHETRPC3TRPC4
SCHEMBL6439777 0.78 BCHE (0.68) TSHRBACE1BCHETRPC3TRPC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 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 (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 TSHR 2047/4885BACE1 729/4885BCHE 63/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TSHR 3944/4885BACE1 790/4885BCHE 174/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TSHR 3944/4885BACE1 790/4885BCHE 174/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TSHR 4163/4885BACE1 647/4885BCHE 154/4885

“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.