SCHEMBL13962498

SCHEMBL13962498

COc1ccc(C)cc1C(=O)NCCN

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.55
▸ DRD2 P14416 3/20 0.55
▸ DRD3 P35462 3/20 0.55
▸ TMEM97 Q5BJF2 2/20 0.52
▸ LMNA P02545 2/20 0.51
▸ DNMT3A Q9Y6K1 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ NLRP3 Q96P20 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ DRD4 P21917 1/20 0.47

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
SCHEMBL13962506 0.89 SIGMAR1 (0.56) SIGMAR1DRD2DRD3TMEM97LMNA
Hydrochloric Acid SCHEMBL9585195 0.84 LMNA (0.70) LMNADNMT3AHDAC1HDAC6NLRP3
SCHEMBL15829240 0.83 MEN1 (0.53) DRD2DRD3LMNADNMT3ANLRP3
SCHEMBL22944545 0.83 LMNA (0.47) DRD2DRD3LMNADNMT3AHDAC1
SCHEMBL12515357 0.83 MEN1 (0.50) DRD2DRD3LMNAADRA2ACYP2D6
SCHEMBL20125128 0.82 HTT (0.68) SIGMAR1DRD2DRD3TMEM97LMNA
SCHEMBL24454271 0.81 CSNK2A1 (0.51) LMNA
SCHEMBL3365176 0.81 CTSD (0.68) DRD2HDAC1DRD4
Hydrochloric Acid SCHEMBL9585041 0.80 CTSD (0.66) DRD2HDAC1DRD4
SCHEMBL12515242 0.80 LMNA (0.52) DRD2DRD3LMNAADRA2ACYP2D6

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
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 — — EP disclosed
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 SIGMAR1 3015/4885DRD2 4827/4885DRD3 4820/4885

“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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