SCHEMBL12444086

SCHEMBL12444086

CCCNC(=O)c1cc(C(N)=O)c(OCCCCCN)cc1OCCCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ SMPD1 P17405 4/20 0.42
▸ DPP4 P27487 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HIF1A Q16665 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL12444102 0.87 MTNR1A (0.43) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL12444079 0.81 CA12 (0.47) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL10198852 0.81 MTNR1A (0.46) KMT2AADRA2AALDH1A1
SCHEMBL19445562 0.81 MTNR1A (0.38) KMT2AALDH1A1
SCHEMBL12444094 0.79 ALDH1A1 (0.39) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL17949894 0.78 CA12 (0.49) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL13962773 0.78 CA12 (0.40) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL12515246 0.78 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1
SCHEMBL19481560 0.78 MTNR1A (0.39) ALDH1A1
SCHEMBL12514751 0.78 LMNA (0.49) MEN1KMT2ALMNAADRA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 — — US disclosed
US-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 — — US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 — — US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 — — US disclosed
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 — — 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 (6 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MEN1 2352/4885KMT2A 3256/4885NR1I2 2562/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 MEN1 2352/4885KMT2A 3256/4885NR1I2 2562/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MEN1 2352/4885KMT2A 3256/4885NR1I2 2562/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 MEN1 1003/4885KMT2A 2766/4885NR1I2 3404/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI MEN1 4264/4885KMT2A 3326/4885NR1I2 1893/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 MEN1 756/4885KMT2A 3424/4885NR1I2 3564/4885

“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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