SCHEMBL5034935

SCHEMBL5034935

CC(=O)CN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
EGFR P00533 1/20 0.31
MAOB P27338 1/20 0.31
TSHR P16473 2/20 0.31
NOS2 P35228 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL5009085 0.82 ALDH1A1 (0.37) ALDH1A1MTNR1AMTNR1BKDM4EMAPT
SCHEMBL1068540 0.79 CYP3A4 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL12313464 0.79 ALDH1A1 (0.35) ALDH1A1MTNR1AMTNR1BMAPTKMT2A
SCHEMBL10836775 0.77 MTNR1A (0.41) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL10728992 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL9619532 0.76 SIGMAR1 (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2879292 0.76 KCNH2 (0.47) ALDH1A1MAPTKMT2AMEN1CYP2C19
Acetic Acid SCHEMBL1075968 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
Acetic Acid SCHEMBL30885078 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
Acetic Acid SCHEMBL9803960 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307239-A4 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2005-01-26 EP claimed
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2004-01-29 US claimed
EP-1307239-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX Nihon Medi-Physics Co., Ltd. (JP) 2003-05-07 EP claimed
EP-0949265-B1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2003-05-07 EP claimed
US-20020048549-A1 Radioactive transition metal nitride heterocomplex DUATTI ADRIANO (IT) 2002-04-25 US claimed
WO-2002009771-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-02-07 WO claimed
US-6270745-B1 FROM A BIS(PHOSPHINOALKYL) SULFIDE OR AMINE NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-08-07 US claimed
EP-0949265-A1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX Nihon Medi-Physics Co., Ltd. (JP) 1999-10-13 EP claimed
US-7445765-B2 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2008-11-04 US disclosed
EP-1307239-A4 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2005-01-26 EP disclosed
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2004-01-29 US disclosed
EP-0949265-B1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2003-05-07 EP disclosed
EP-1307239-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX Nihon Medi-Physics Co., Ltd. (JP) 2003-05-07 EP disclosed
US-20020048549-A1 Radioactive transition metal nitride heterocomplex DUATTI ADRIANO (IT) 2002-04-25 US disclosed
WO-2002009771-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-02-07 WO disclosed
US-6270745-B1 FROM A BIS(PHOSPHINOALKYL) SULFIDE OR AMINE NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-08-07 US disclosed
EP-0949265-A1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX Nihon Medi-Physics Co., Ltd. (JP) 1999-10-13 EP 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-20020048549-A1 Radioactive transition metal nitride heterocomplex SHBG, GNRHR, PRMT5 ALDH1A1 4805/4885MTNR1A 276/4885MTNR1B 407/4885
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex SHBG, TNNT2, TNNI3 ALDH1A1 4698/4885MTNR1A 3713/4885MTNR1B 2879/4885

“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.