SCHEMBL5953588

SCHEMBL5953588

CCc1cccc2c(C)c[c]nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.35
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL3861841 0.80 CYP2A6 (0.42) ELANEALDH1A1CYP1A2KDM4EMAPT
SCHEMBL7954562 0.75 NR4A2 (0.41) ALDH1A1CYP1A2KDM4ELMNAPSMD14
SCHEMBL7952608 0.75 AR (0.36) ALDH1A1CYP1A2KDM4EHTTPSMD14
SCHEMBL7954070 0.72 NQO2 (0.42) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL3272867 0.71 PSMD14 (0.58) ELANEGABRA1GABRB2ALDH1A1CYP1A2
SCHEMBL5751117 0.67 TNKS2 (0.40) ELANEALDH1A1CYP1A2KDM4EMAPT
SCHEMBL411657 0.66 CYP1A2 (0.45) ALDH1A1CYP1A2KDM4EMAPTHPGD
SCHEMBL3238496 0.65 GABRA1 (0.57) GABRA1GABRB2ALDH1A1CYP1A2CYP2D6
SCHEMBL599157 0.65 CYP1A2 (0.62) GABRA1GABRB2ALDH1A1CYP1A2TSHR
SCHEMBL8272632 0.65 MAPT (0.43) ELANEGABRA1GABRB2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204451-A1 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2004-10-14 US claimed
US-20040132778-A1 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY INC., A CORPORATION OF THE STATE OF DELAWARE 2004-07-08 US claimed
US-20030139445-A1 Method for treating retroviral infections BIOLAB, INC. 2003-07-24 US claimed
WO-2003037311-A2 METHOD FOR TREATING RETROVIRAL INFECTIONS UNIROYAL CHEMICAL COMPANY, INC. (US) 2003-05-08 WO claimed
US-7064139-B2 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-06-20 US disclosed
US-20040204451-A1 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2004-10-14 US disclosed
US-20040132778-A1 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY INC., A CORPORATION OF THE STATE OF DELAWARE 2004-07-08 US disclosed
US-20030139445-A1 Method for treating retroviral infections BIOLAB, INC. 2003-07-24 US disclosed
WO-2003037311-A2 METHOD FOR TREATING RETROVIRAL INFECTIONS UNIROYAL CHEMICAL COMPANY, INC. (US) 2003-05-08 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-20040204451-A1 Method for treating retroviral infections TPMT, ALB, GARS1 ELANE 2649/4885GABRA1 1618/4885GABRB2 1810/4885
US-20030139445-A1 Method for treating retroviral infections TPMT, ALB, GARS1 ELANE 2649/4885GABRA1 1618/4885GABRB2 1810/4885
US-20040132778-A1 Method for treating retroviral infections TPMT, TYMP, ARSA ELANE 2533/4885GABRA1 930/4885GABRB2 866/4885

“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.