SCHEMBL6954705

SCHEMBL6954705

COc1ccc(/N=C(\S)NC#N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NNMT P40261 1/20 0.36
KCNJ11 Q14654 1/20 0.35
IMPDH2 P12268 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 1/20 0.34
ERN1 O75460 2/20 0.33
PABPC1 P11940 2/20 0.33
POLB P06746 1/20 0.33
FYN P06241 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL6954707 1.00 MPI (0.37) MPIALDH1A1KDM4ENPC1LMNA
SCHEMBL7983257 0.77 HRH4 (0.40) KDM4EKCNJ11IMPDH2MEN1KMT2A
SCHEMBL8032381 0.75 NNMT (0.49) MPINNMTERN1MKNK1MKNK2
SCHEMBL5107506 0.73 MPI (0.45) MPIALDH1A1KDM4ENPC1LMNA
SCHEMBL7684112 0.72 HRH4 (0.37) KDM4EKCNJ11IMPDH2MEN1KMT2A
SCHEMBL7262300 0.72 HRH4 (0.37) KDM4EKCNJ11IMPDH2MEN1KMT2A
SCHEMBL7898821 0.70 HTR3E (0.50) ALDH1A1LMNAKCNJ11IMPDH2MEN1
SCHEMBL10416426 0.70 MPI (0.40) MPIALDH1A1KDM4ENPC1LMNA
SCHEMBL10416428 0.70 MPI (0.40) MPIALDH1A1KDM4ENPC1LMNA
SCHEMBL10416389 0.69 MPI (0.42) MPIALDH1A1KDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646129-B2 Treatment of psoriasis and skin cancer LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-11-11 US disclosed
EP-0984938-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-10 EP disclosed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 EP disclosed
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S 2002-08-08 US disclosed
US-6346520-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-02-12 US disclosed
US-6346541-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR BREAST, LUNG, AND SKIN CANCER LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-12 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 (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-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors CCNC, MKI67, CCNI MPI 3333/4885ALDH1A1 2883/4885KDM4E 1553/4885

“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.