SCHEMBL5039710

SCHEMBL5039710

COCCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KCNA5 P22460 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
LTA4H P09960 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
EBP Q15125 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
NR1I2 O75469 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1068540 0.84 CYP3A4 (0.39) ALDH1A1
SCHEMBL5000404 0.84 KMT2A (0.47) KMT2AMEN1KCNA5TP53LMNA
SCHEMBL6057042 0.81 CA2 (0.38) KMT2AMEN1ALDH1A1CA2MAPK1
SCHEMBL5039661 0.79 HTR1A (0.42) SIGMAR1EBPTMEM97RAB9A
SCHEMBL18213635 0.79 HTR1A (0.42) SIGMAR1EBPTMEM97RAB9A
Bromide SCHEMBL28416675 0.79 CA2 (0.37) KMT2AMEN1ALDH1A1CA2MAPK1
SCHEMBL8723759 0.78 SIGMAR1 (0.42) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL2879292 0.77 KCNH2 (0.47) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL9619532 0.77 SIGMAR1 (0.44) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL15417419 0.77 MAPK1 (0.40) KMT2AMEN1LMNAALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-1307239-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX Nihon Medi-Physics Co., Ltd. (JP) 2003-05-07 EP disclosed
EP-0949265-B1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX NIHON MEDIPHYSICS 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 KMT2A 3630/4885MEN1 11/4885KCNA5 3192/4885
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex SHBG, TNNT2, TNNI3 KMT2A 4818/4885MEN1 746/4885KCNA5 4222/4885

“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.