SCHEMBL21859338

SCHEMBL21859338

CCCCn1ccn(C(C)C)c1=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TLR8 Q9NR97 2/20 0.36
▸ NPC1 O15118 6/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ HTT P42858 6/20 0.34
▸ LMNA P02545 5/20 0.34
▸ APOBEC3A P31941 2/20 0.34
▸ APOBEC3G Q9HC16 2/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ GALR3 O60755 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAD52 P43351 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
SCHEMBL21859457 0.89 — —
SCHEMBL24885966 0.76 ALDH1A1 (0.42) POLBALDH1A1KMT2ATLR8NPC1
SCHEMBL13483449 0.73 TLR8 (0.42) POLBALDH1A1KMT2ATLR8NPC1
SCHEMBL24885968 0.69 LPO (0.32) —
SCHEMBL18625864 0.65 KMT2A (0.37) POLBALDH1A1KMT2ATLR8NPC1
SCHEMBL27362845 0.65 ALDH1A1 (0.47) POLBALDH1A1KMT2ATLR8NPSR1
SCHEMBL21859332 0.63 TYR (0.33) POLBALDH1A1NPC1RAB9AHTT
SCHEMBL12424656 0.63 ALDH1A1 (0.59) POLBALDH1A1KMT2ATLR8LMNA
SCHEMBL27791311 0.62 INMT (0.48) POLBALDH1A1KMT2ATLR8NPC1
SCHEMBL27721562 0.61 KMT2A (0.56) POLBALDH1A1KMT2ATLR8SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 — — US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 — — 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 POLB 3583/4885ALDH1A1 3586/4885KMT2A 238/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 POLB 3635/4885ALDH1A1 3517/4885KMT2A 205/4885

“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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