SCHEMBL2290085

SCHEMBL2290085

ClCCN(CCCl)c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A3 O75751 1/20 0.32

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
SCHEMBL8668629 0.80 SLC22A2 (0.37) EGFRERBB2SLC22A2SLC22A3
SCHEMBL1355931 0.79 MEN1 (0.35)
SCHEMBL816702 0.79 TP53 (0.34)
SCHEMBL11057354 0.76 TAAR1 (0.45)
SCHEMBL2460591 0.76 TDP1 (0.37)
SCHEMBL1077660 0.75 KCNH2 (0.38)
SCHEMBL9530787 0.75 KMT2A (0.37)
SCHEMBL350461 0.74 TSHR (0.38)
SCHEMBL2460597 0.73 KCNH2 (0.40)
SCHEMBL9800595 0.73 KCNH2 (0.40)

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
WO-2005085863-A2 BIOMARKER: COMPOUND CORRELATIONS IN CANCER DIAGNOSIS AND THERAPY APPLIED GENOMICS, INC. (US) 2005-09-15 WO claimed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US claimed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP claimed
US-4193917-A LACTAM COMPOUND USED AS INTERMEDIATE GLAXO LABORATORIES, LIMITED (GB) 1980-03-18 US claimed
US-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators THRESHOLD PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2009140553-A2 HYPOXIA ACTIVATED DRUGS OF NITROGEN MUSTARD ALKYLATORS THRESHOLD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
US-6433199-B1 ANTITUMOR, ANTICANCER AGENTS SHIONOGI BIORESEARCH CORPORATION 2002-08-13 US disclosed
US-5969133-A Bioreductive cytotoxic agents SHIONGI BIORESEARCH CORP. (US) 1999-10-19 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-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators HIF1AN, HIF1A, HYOU1 EGFR 303/4885ERBB2 201/4885SLC22A2 1362/4885

“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.