SCHEMBL18349232

SCHEMBL18349232

Nc1ccc(/C=C/c2ccc3ccccc3[n+]2C(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
ACHE P22303 10/20 0.41
KMT2A Q03164 8/20 0.41
POLB P06746 6/20 0.41
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 3/20 0.37
MEN1 O00255 5/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
BLM P54132 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PPARG P37231 2/20 0.37
NCOA2 Q15596 2/20 0.37
NCOA1 Q15788 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL18349199 0.86 KMT2A (0.55) RAB9ANPC1ACHEKMT2APOLB
SCHEMBL18349255 0.78 KMT2A (0.54) RAB9ANPC1ACHEKMT2APOLB
SCHEMBL19860014 0.78 KMT2A (0.53) RAB9ANPC1ACHEKMT2APOLB
SCHEMBL18349222 0.76 PTPN1 (0.41) ACHEKMT2APOLB
SCHEMBL18349215 0.74 KMT2A (0.54) RAB9ANPC1ACHEKMT2APOLB
SCHEMBL18349243 0.72 CYP19A1 (0.41) RAB9ANPC1KMT2APOLBCYP19A1
SCHEMBL18349234 0.72 CHAT (0.42) RAB9ANPC1KMT2APOLBCYP19A1
Perchlorate SCHEMBL4878649 0.65 KMT2A (0.64) RAB9ANPC1ACHEKMT2APOLB
Perchlorate SCHEMBL4878642 0.65 KMT2A (0.64) RAB9ANPC1ACHEKMT2APOLB
SCHEMBL14609511 0.63 UTS2R (0.61) KMT2AMEN1LMNAHTTNPSR1

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-9890187-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD. (CY) 2018-02-13 US disclosed
US-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2016-12-29 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-20160376298-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER TP53, MKI67, FLT3 RAB9A 3409/4885NPC1 4408/4885ACHE 4714/4885

“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.