SCHEMBL1263239

SCHEMBL1263239

CC(C)(C)N(Cc1cc(Cl)ccc1N1CCOC1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.40
CMA1 P23946 9/20 0.38
AKR1C3 P42330 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
P2RX7 Q99572 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL1261803 0.81 RARA (0.38) LMNATSHR
SCHEMBL5447268 0.77 LMNA (0.46) NAAACMA1LMNATSHR
SCHEMBL4299799 0.77 SETDB1 (0.44) NAAACMA1AKR1C3PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL1019729 0.74 NAAA (0.42) NAAACMA1AKR1C3LMNAFPR1
SCHEMBL16427158 0.71 F2 (0.39)
SCHEMBL23466566 0.70 KMT2A (0.53) NAAALMNATSHRFPR1FPR2
SCHEMBL29758149 0.70 KMT2A (0.53) NAAALMNATSHRFPR1FPR2
SCHEMBL29758148 0.70 KMT2A (0.53) NAAALMNATSHRFPR1FPR2
SCHEMBL7419276 0.70 MEN1 (0.38) LMNATSHR
SCHEMBL20559571 0.69 PYCR1 (0.47) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7982044-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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 (5 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-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 NAAA 4061/4885CMA1 900/4885AKR1C3 630/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 NAAA 4061/4885CMA1 900/4885AKR1C3 630/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 NAAA 3750/4885CMA1 906/4885AKR1C3 661/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 NAAA 4061/4885CMA1 900/4885AKR1C3 630/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 NAAA 4061/4885CMA1 900/4885AKR1C3 630/4885

“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.