SCHEMBL5953902

SCHEMBL5953902

Oc1cccnc1SCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CYP2C9 P11712 1/20 0.64
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HSD17B10 Q99714 1/20 0.56
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
DAO P14920 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL11195250 0.84 POLB (0.61) ALDH1A1CYP2C9MEN1KMT2APKM
Methane SCHEMBL3417314 0.83 MAPK1 (0.58) ALDH1A1CYP2C9MEN1KMT2APKM
SCHEMBL2099509 0.81 TP53 (0.52) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL8883167 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL8115003 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL30646274 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL8876086 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL1827394 0.79 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL3594763 0.78 ALDH1A1 (1.00) ALDH1A1CYP2C9MEN1KMT2APKM
SCHEMBL10414873 0.77 ALDH1A1 (0.58) ALDH1A1CYP2C9MEN1KMT2AHSD17B10

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 ALDH1A1 825/4885CYP2C9 1982/4885MEN1 4024/4885
US-20030139445-A1 Method for treating retroviral infections TPMT, ALB, GARS1 ALDH1A1 825/4885CYP2C9 1982/4885MEN1 4024/4885
US-20040132778-A1 Method for treating retroviral infections TPMT, TYMP, ARSA ALDH1A1 977/4885CYP2C9 2052/4885MEN1 3947/4885

“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.