SCHEMBL4019433

SCHEMBL4019433

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1.[Na+].[Na+]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 1/20 0.41
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CNR2 P34972 14/20 0.39
CNR1 P21554 7/20 0.39
GRK6 P43250 1/20 0.39
TSHR P16473 1/20 0.38
HSP90AA1 P07900 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL31244568 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL4019441 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL863081 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL4020690 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL21176648 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL25506725 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL111712 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDL3MBTL1
Isosulfan Blue Inner Salt SCHEMBL3324345 0.74 MEN1 (0.44) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL10893238 0.72 CNR2 (0.36) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL340854 0.71 MEN1 (0.44) ALDH1A1MEN1KMT2AHPGDL3MBTL1

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-7534911-B2 Process for the preparation of Isosulphan Blue INNOVASSYNTH TECHNOLOGIES (INDIA) LTD. (IN) 2009-05-19 US claimed
US-20060224003-A1 A PROCESS FOR THE PREPARATION OF ISOSULPHAN BLUE RISING PHARMA HOLDINGS, INC. 2006-10-05 US claimed
US-20250270168-A1 SYNTHESIS PROCESS FOR HIGH PURITY ISOSULFAN BLUE USING FLASH CHROMATOGRAPHY IN COMMERCIAL PLANT SCALE RISING PHARMA HOLDINGS, INC. (US) 2025-08-28 US disclosed
US-12180142-B1 Synthesis process for high purity isosulfan blue using flash chromatography in commercial plant scale RISING PHARMA HOLDINGS, INC. (US) 2024-12-31 US disclosed
US-10723745-B2 Isosulfan blue, its crystalline form and process for preparation thereof BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2020-07-28 US disclosed
US-20190225626-A1 ISOSULFAN BLUE, ITS CRYSTALLINE FORM AND PROCESS FOR PREPARATION THEREOF BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2019-07-25 US disclosed
US-7534911-B2 Process for the preparation of Isosulphan Blue INNOVASSYNTH TECHNOLOGIES (INDIA) LTD. (IN) 2009-05-19 US disclosed
US-20060224003-A1 A PROCESS FOR THE PREPARATION OF ISOSULPHAN BLUE RISING PHARMA HOLDINGS, INC. 2006-10-05 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 (4 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-20190225626-A1 ISOSULFAN BLUE, ITS CRYSTALLINE FORM AND PROCESS FOR PREPARATION THEREOF SI, IK, RPS4Y1 PPARG 4787/4885ALDH1A1 809/4885MEN1 2280/4885
US-20250270168-A1 SYNTHESIS PROCESS FOR HIGH PURITY ISOSULFAN BLUE USING FLASH CHROMATOGRAPHY IN COMMERCIAL PLANT SCALE CBS, SLC6A12, RPS4Y1 PPARG 4562/4885ALDH1A1 1717/4885MEN1 2901/4885
US-12180142-B1 Synthesis process for high purity isosulfan blue using flash chromatography in commercial plant scale CBS, SLC6A12, RPS4Y1 PPARG 4562/4885ALDH1A1 1717/4885MEN1 2901/4885
US-10723745-B2 Isosulfan blue, its crystalline form and process for preparation thereof SI, IK, RPS4Y1 PPARG 4787/4885ALDH1A1 809/4885MEN1 2280/4885

“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.