SCHEMBL13325845

SCHEMBL13325845

Clc1ccc(Cc2ncc3ccccn23)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC9A1 P19634 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
DRD4 P21917 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PPP1CA P62136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 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
SCHEMBL16695052 0.74 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14584225 0.71 SMN1; SMN2 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14584220 0.70 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL5431995 0.69 NPSR1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL24090159 0.69 KDM4E (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL20864246 0.69 KDM4E (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10272042 0.69 KDM4E (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2097653 0.67 IDO1 (0.65) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7979421 0.66 KDM4E (0.47) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3899982 0.66 PDE10A (0.52) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US 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 (2 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR KMT2A 3513/4885MEN1 454/4885ALDH1A1 184/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR KMT2A 3513/4885MEN1 454/4885ALDH1A1 184/4885

“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.