SCHEMBL6230561

SCHEMBL6230561

O=CN(CCc1ccccn1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 1/20 0.49
ATM Q13315 1/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 3/20 0.42
HRH1 P35367 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
LIN28A Q9H9Z2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.38

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
Hydrochloric Acid SCHEMBL6793035 0.83 SYK (0.44) TSHRCYP2C19HIF1AATMKDM4E
SCHEMBL6252749 0.81 POLB (0.50) CYP2C19ATMTDP1CYP1A2CYP3A4
SCHEMBL6227384 0.79 CYP1A2 (0.49) TSHRCYP2C19KDM4ETDP1CYP1A2
SCHEMBL6503514 0.74 HRH1 (0.47) TSHRCYP2C19HIF1AKDM4ETDP1
SCHEMBL6227307 0.74 NPSR1 (0.55) TSHRCYP2C19HIF1AKDM4ETDP1
SCHEMBL996633 0.72 KDM4E (0.51) TSHRCYP2C19HIF1AATMKDM4E
SCHEMBL6226630 0.71 NPC1 (0.50) TSHRCYP2C19HIF1AKDM4ETDP1
SCHEMBL6792835 0.71 POLB (0.53) TSHRCYP2C19KDM4ETDP1CYP1A2
SCHEMBL6793043 0.70 POLB (0.56) TSHRCYP2C19ATMKDM4ETDP1
SCHEMBL4961822 0.69 TDP1 (0.63) TSHRCYP2C19ATMKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 TSHR 3699/4885CYP2C19 2695/4885HIF1A 669/4885

“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.