SCHEMBL20964570

SCHEMBL20964570

O=C(C1C=CC=C1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.58
▸ AKR1C3 P42330 6/20 0.56
▸ LMNA P02545 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ CHIA Q9BZP6 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ME2 P23368 1/20 0.49
▸ ME1 P48163 1/20 0.49
▸ ME3 Q16798 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL20964666 0.86 TDP1 (0.67) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL20964685 0.84 HTR1A (0.62) MEN1KMT2ANPSR1AKR1C3LMNA
SCHEMBL20964676 0.80 PANK3 (0.52) ME2ME1ME3
SCHEMBL20964686 0.77 KMT2A (0.62) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL20964547 0.77 GAA (0.56) MEN1KMT2ANPSR1AKR1C3LMNA
SCHEMBL1423584 0.76 AKR1C3 (0.67) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL632099 0.76 LMNA (0.68) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL3174172 0.75 CHIA (0.69) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL28083212 0.75 AKR1C3 (0.65) MEN1KMT2AAKR1C3LMNAALDH1A1
SCHEMBL14276932 0.75 CASP6 (0.69) MEN1KMT2AAKR1C3LMNAALDH1A1

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-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 — — US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 — — 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 MEN1 179/4885KMT2A 4728/4885NPSR1 2051/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 MEN1 2387/4885KMT2A 3241/4885NPSR1 2185/4885

“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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