SCHEMBL446056

SCHEMBL446056

COc1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
TDP1 Q9NUW8 1/20 0.59
PKM P14618 1/20 0.54
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PTGS2 P35354 2/20 0.49
CYP19A1 P11511 1/20 0.49
KCNMA1 Q12791 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL31075422 1.00 HTT (0.66) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL38657150 0.85 TDP1 (0.64) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL1027041 0.85 TDP1 (0.64) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL527567 0.82 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL29441283 0.82 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL12782259 0.81 MAPT (0.51) HTTTDP1LMNAPTGS2CYP19A1
SCHEMBL5652275 0.80 RECQL (0.51) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL57125 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL222283 0.79 HTT (1.00) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL8977874 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2

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 220 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776331-A A kind of preparation method of 3- methoxyl group -4- Iodoaniline 宁夏大学 2019-05-21 CN claimed
US-20250339388-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF MAXYMUNE THERAPEUTICS INC (US) 2025-11-06 US disclosed
US-20250319046-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF MAXYMUNE THERAPEUTICS INC (US) 2025-10-16 US disclosed
US-12427124-B1 Phenylalanine-based LAT1 inhibitors and uses thereof Maxymune Therapeutics, Inc. (US) 2025-09-30 US disclosed
CN-114057815-B Novel 6-6 bicyclic aromatic ring substituted nucleosides as PRMT5 inhibitors 詹森药业有限公司 2025-02-25 CN disclosed
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
US-11883367-B2 6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-01-30 US disclosed
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
WO-2003077918-A1 DI-ARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-09-25 WO disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO 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 (9 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-20250339388-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF SLC43A1, SLC7A1, SLC1A5 HTT 2982/4885TDP1 1176/4885PKM 841/4885
US-11883367-B2 6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors PRMT5, PRMT6, PRMT1 HTT 3943/4885TDP1 449/4885PKM 926/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HTT 1959/4885TDP1 799/4885PKM 901/4885
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT6, PRMT1 HTT 3966/4885TDP1 433/4885PKM 910/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885TDP1 1883/4885PKM 763/4885
US-12427124-B1 Phenylalanine-based LAT1 inhibitors and uses thereof SLC43A1, SLC7A1, SLC1A5 HTT 2982/4885TDP1 1176/4885PKM 841/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885TDP1 1883/4885PKM 763/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTT 2723/4885TDP1 798/4885PKM 876/4885
US-20250319046-A1 PHENYLALANINE-BASED LAT1 INHIBITORS AND USES THEREOF SLC43A1, SLC7A1, SLC1A5 HTT 2982/4885TDP1 1176/4885PKM 841/4885

“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.