SCHEMBL12548349

SCHEMBL12548349

CNC(=O)c1ccc(C(=O)CCN2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ LMNA P02545 6/20 0.63
▸ MAPT P10636 6/20 0.63
▸ HTT P42858 3/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ GFER P55789 1/20 0.63
▸ TP53 P04637 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HPGD P15428 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ THRB P10828 6/20 0.60
▸ USP2 O75604 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CYP1A2 P05177 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM4 P08173 1/20 0.59
▸ CHRM5 P08912 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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
SCHEMBL12123614 0.83 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12240720 0.83 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12123647 0.82 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL13069210 0.81 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12267314 0.81 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL1140551 0.81 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL13181405 0.80 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL11755100 0.80 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL17033397 0.80 ALDH1A1 (0.72) ALDH1A1KMT2ALMNAMAPTHTT
Hydrochloric Acid SCHEMBL908555 0.80 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896412-B2 Reagents and method for conjugating biological molecules POLYTHERICS LIMITED (GB) 2018-02-20 — — US disclosed
US-20150148544-A1 NOVEL REAGENTS AND METHOD FOR CONJUGATING BIOLOGICAL MOLECULES POLYTHERICS LIMITED (GB) 2015-05-28 — — US disclosed
US-8969626-B2 Reagents and method for conjugating biological molecules POLYTHERICS LIMITED (GB) 2015-03-03 — — US disclosed
US-20140081047-A1 NOVEL REAGENTS AND METHOD FOR CONJUGATING BIOLOGICAL MOLECULES POLYTHERICS LIMITED (GB) 2014-03-20 — — US disclosed
US-20110136723-A1 NOVEL REAGENTS AND METHOD FOR CONJUGATING BIOLOGICAL MOLECULES POLYTHERICS LIMITED (GB) 2011-06-09 — — 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 (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-20110136723-A1 NOVEL REAGENTS AND METHOD FOR CONJUGATING BIOLOGICAL MOLECULES F13B, SSB, F13A1 ALDH1A1 2827/4885KMT2A 2913/4885LMNA 1462/4885
US-20150148544-A1 NOVEL REAGENTS AND METHOD FOR CONJUGATING BIOLOGICAL MOLECULES INHA, AR, NR0B1 ALDH1A1 1386/4885KMT2A 2765/4885LMNA 1812/4885
US-20140081047-A1 NOVEL REAGENTS AND METHOD FOR CONJUGATING BIOLOGICAL MOLECULES F13B, SSB, F13A1 ALDH1A1 2827/4885KMT2A 2913/4885LMNA 1462/4885

“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.

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